,feature_id,component_id,structure_taxonomy_npclassifier_01pathway_consensus,structure_taxonomy_npclassifier_02superclass_consensus,structure_taxonomy_npclassifier_03class_consensus,msms_score,libname,structure_inchikey,structure_inchi,structure_smiles,structure_molecular_formula,adduct,structure_exact_mass,short_inchikey,structure_taxonomy_npclassifier_01pathway,structure_taxonomy_npclassifier_02superclass,structure_taxonomy_npclassifier_03class,organism_name,organism_taxonomy_ottid,organism_taxonomy_01domain,organism_taxonomy_02kingdom,organism_taxonomy_03phylum,organism_taxonomy_04class,organism_taxonomy_05order,organism_taxonomy_06family,organism_taxonomy_07tribe,organism_taxonomy_08genus,organism_taxonomy_09species,score_taxo,score_max_consistency,final_score
0,5665,396,Alkaloids,Ornithine alkaloids,Polyamines,0.5261578,ISDB,,,,,,,XPIMOOLZEIEDTA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.104631185531616
1,5663,-1,,,,0.0,MS1_match,ZLSYCIYRYZUJCZ-MTXMLOAPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_1proton,705.445197216,ZLSYCIYRYZUJCZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2,5663,-1,,,,0.0,MS1_match,IBVPROGUDFDQRN-ZFRVHUQPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_1_1proton,705.445197216,IBVPROGUDFDQRN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3,5661,-1,,,,0.0,MS1_match,GPTVOZHQPZXWDW-SOSCMSTKSA-N,"InChI=1S/C30H38O7/c1-15-12-22(36-26(33)16(15)2)17(3)20-13-25(35-18(4)31)30(34)21-14-24-29(37-24)10-7-8-23(32)28(29,6)19(21)9-11-27(20,30)5/h7-8,13,17,19,21-22,24-25,34H,9-12,14H2,1-6H3/t17-,19-,21+,22+,24+,25-,27+,28-,29+,30-/m0/s1",CC(=O)O[C@H]1C=C([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]12O,C30H38O7,pos_2_1calcium,510.2617535559999,GPTVOZHQPZXWDW,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0
4,5661,-1,,,,0.0,MS1_match,LNGNKHSYFSLHKD-CZVCFZMLSA-N,"InChI=1S/C30H38O7/c1-14-12-20(36-27(33)15(14)2)16(3)24-21(35-17(4)31)13-19-23-18(9-11-28(19,24)5)29(6)22(32)8-7-10-30(29,34)26-25(23)37-26/h7-8,18-21,23,25-26,34H,9-13H2,1-6H3/b24-16+/t18-,19-,20+,21-,23+,25-,26-,28-,29-,30-/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]2(C)/C1=C(\C)[C@H]1CC(C)=C(C)C(=O)O1,C30H38O7,pos_2_1calcium,510.261753556,LNGNKHSYFSLHKD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
5,5659,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,1,6.5
6,5659,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,1,6.5
7,5657,1148,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
8,5656,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SSDNUGHQUZHHEE-YGUMODFPSA-N,"InChI=1S/C27H48N2O2/c1-15-11-23(31)25(29-14-15)16(2)24-22(30)13-21-19-6-5-17-12-18(28)7-9-26(17,3)20(19)8-10-27(21,24)4/h15-25,29-31H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+/m1/s1",C[C@H]1CN[C@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](N)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)C1,C27H48N2O2,pos_1_minus1proton2potassium,432.371578776,SSDNUGHQUZHHEE,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,3,9.5
9,5655,-1,,,,0.0,MS1_match,SJMPBOBISFMUJY-CHESOGDCSA-N,"InChI=1S/C26H32O6/c1-13(19-12-20-23(31-20)24(29)32-19)14-5-7-16-15(10-14)6-8-18-17(16)11-22(28)26(30)9-3-4-21(27)25(18,26)2/h3-5,7,10,13,17-20,22-24,28-30H,6,8-9,11-12H2,1-2H3/t13-,17-,18-,19-,20-,22+,23-,24+,25-,26-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@@H]2O[C@@H]2[C@H](O)O1,C26H32O6,pos_2MMg,440.2198887439999,SJMPBOBISFMUJY,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0
10,5654,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.81603366,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,3,10.764134645462036
11,5654,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.81603366,ISDB,JQOTXJRWMCMWBT-UHFFFAOYSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(O)c1ccc4c(c1C2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,10.764134645462036
12,5654,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.81603366,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],6,3,10.764134645462036
13,5654,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.81603366,ISDB,JQOTXJRWMCMWBT-UFYCRDLUSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis flabellata,6130375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis flabellata'],6,3,10.764134645462036
14,5654,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.81603366,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pseudofumaria lutea,978868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pseudofumaria'],['Pseudofumaria lutea'],6,3,10.764134645462036
15,5653,-1,,,,0.0,MS1_match,CUMOVBHYOAOTHH-UEXUMAGCSA-N,"InChI=1S/C46H75NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h8,20-22,25-28,30-44,48,51-58H,7,9-19H2,1-6H3,(H,47,49)/t20-,21-,22+,25+,26-,27+,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,44+,45+,46+/m1/s1",CC(=O)NC[C@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H75NO17,pos_1_1proton1ammonium,913.50349994,CUMOVBHYOAOTHH,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0
16,5651,-1,,,,0.91664183,ISDB,YGSIRXHFAUFUEJ-GPTQDWHKSA-N,"InChI=1S/C12H16O8/c1-5-11(6(14)2-3-18-5)20-12-10(17)9(16)8(15)7(4-13)19-12/h2-3,7-10,12-13,15-17H,4H2,1H3/t7-,8-,9+,10-,12+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C12H16O8,,288.084517472,YGSIRXHFAUFUEJ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Turnera diffusa,92073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Turnera'],['Turnera diffusa'],5,0,8.666567325592041
17,5650,-1,,,,0.27682978,ISDB,WITGZKZTBTXECL-USPPIBIUSA-N,"InChI=1S/C26H36O10/c1-14-6-10-25-11-8-17(26(25,33)12-7-14)24(3,36-23(25)32)9-4-5-15(2)21(31)35-22-20(30)19(29)18(28)16(13-27)34-22/h4-6,9,16-20,22,27-30,33H,7-8,10-13H2,1-3H3/b9-4+,15-5+/t16-,17+,18-,19+,20-,22+,24-,25-,26+/m1/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC2=O)[C@@]3(O)CC1,C26H36O10,,508.2308473519998,WITGZKZTBTXECL,Terpenoids,,,Larix kaempferi,154040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Larix'],['Larix kaempferi'],3,0,4.107319116592407
18,5650,-1,,,,0.27682978,ISDB,WITGZKZTBTXECL-USPPIBIUSA-N,"InChI=1S/C26H36O10/c1-14-6-10-25-11-8-17(26(25,33)12-7-14)24(3,36-23(25)32)9-4-5-15(2)21(31)35-22-20(30)19(29)18(28)16(13-27)34-22/h4-6,9,16-20,22,27-30,33H,7-8,10-13H2,1-3H3/b9-4+,15-5+/t16-,17+,18-,19+,20-,22+,24-,25-,26+/m1/s1",CC1=CC[C@@]23CC[C@@H]([C@@](C)(/C=C/C=C(\C)C(=O)O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC2=O)[C@@]3(O)CC1,C26H36O10,,508.2308473519998,WITGZKZTBTXECL,Terpenoids,,,Pseudolarix amabilis,641107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Pinales'],['Pinaceae'],['Unknown'],['Pseudolarix'],['Pseudolarix amabilis'],3,0,4.107319116592407
19,5647,98,Alkaloids,Ornithine alkaloids,Polyamines,0.5597318,ISDB,UKDQTQBQRCLXJK-UHFFFAOYSA-N,"InChI=1S/C25H33N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,7-9,11,16-17,26,29-32H,1-3,6,10,12-15H2,(H,27,33)(H,28,34)",O=C(C=Cc1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1,C25H33N3O6,,471.236935776,UKDQTQBQRCLXJK,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.738927125930786
20,5646,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MH,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
21,5646,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_2MH,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
22,5645,-1,,,,0.58686566,ISDB,UYLFIIUIXMINML-UHFFFAOYSA-N,"InChI=1S/C13H18N2O/c14-10-4-5-11-15-13(16)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11,14H2,(H,15,16)",NCCCCNC(=O)C=Cc1ccccc1,C13H18N2O,,218.141913196,UYLFIIUIXMINML,Alkaloids,Ornithine alkaloids,Polyamines,Hyoscyamus muticus,689845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus muticus'],6,0,8.34746265411377
23,5644,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UXXAEVMOIUAYQT-BDOJHUBJSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8?,16-,18?,19-,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.116211524,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
24,5644,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UXXAEVMOIUAYQT-BDOJHUBJSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8?,16-,18?,19-,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.116211524,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
25,5641,925,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40001544,ISDB,AXMVYSVVTMKQSL-OWOJBTEDSA-N,"InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+",O=C/C=C/c1ccc(O)c(O)c1,C9H8O3,,164.047344116,AXMVYSVVTMKQSL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,3,7.100061774253845
26,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea acaulis,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,3,8.5
27,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
28,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
29,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
30,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
31,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
32,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
33,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,3,8.5
34,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-VNAATALASA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12+,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kandavanensis,785659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kandavanensis'],7,3,8.5
35,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-UHFFFAOYSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC(C)=O)CC12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea nicolai,7613260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nicolai'],7,3,8.5
36,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,3,8.5
37,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
38,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
39,5640,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
40,5635,-1,,,,0.0,MS1_match,LAFGOWWTPVOXRA-GOSISDBHSA-N,"InChI=1S/C18H16O10/c1-3-26-10(20)6-8-12-11-7(15(22)18(12,25)17(24)27-4-2)5-9(19)13(21)14(11)28-16(8)23/h5,19,21,25H,3-4,6H2,1-2H3/t18-/m1/s1",CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)[C@@]2(O)C(=O)OCC,C18H16O10,pos_2_2sodium,392.074346712,LAFGOWWTPVOXRA,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
41,5632,-1,,,,0.0,MS1_match,JPLOCWOFCUFHBG-PIAIVMLOSA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)35-19-11-5-6-33-22(15(11)24(9-26)20(19)37-24)36-23-18(29)17(28)16(27)14(8-25)34-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16-,17+,18-,19+,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1OC,C24H30O13,pos_1_1sodium,526.1686410199999,JPLOCWOFCUFHBG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,0,7.0
42,5632,-1,,,,0.0,MS1_match,JPLOCWOFCUFHBG-PIAIVMLOSA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)35-19-11-5-6-33-22(15(11)24(9-26)20(19)37-24)36-23-18(29)17(28)16(27)14(8-25)34-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16-,17+,18-,19+,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1OC,C24H30O13,pos_1_1sodium,526.1686410199999,JPLOCWOFCUFHBG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],7,0,7.0
43,5632,-1,,,,0.0,MS1_match,JPLOCWOFCUFHBG-PIAIVMLOSA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)35-19-11-5-6-33-22(15(11)24(9-26)20(19)37-24)36-23-18(29)17(28)16(27)14(8-25)34-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16-,17+,18-,19+,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1OC,C24H30O13,pos_1_1sodium,526.1686410199999,JPLOCWOFCUFHBG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],7,0,7.0
44,5632,-1,,,,0.0,MS1_match,ZSVGHBSAINKGKE-SHBGZVEESA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)34-9-24-15-11(16(26)20(24)37-24)5-6-33-22(15)36-23-19(29)18(28)17(27)14(8-25)35-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16+,17-,18+,19-,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)OC[C@]23O[C@H]2[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]23)cc1OC,C24H30O13,pos_1_1sodium,526.1686410199998,ZSVGHBSAINKGKE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],7,0,7.0
45,5632,-1,,,,0.0,MS1_match,HXFHMJJSRQBCMG-UHFFFAOYSA-N,"InChI=1S/C16H15ClO2/c1-4-5-6-7-8-9-10-11-16(3)14(15(16)17)12-19-13(2)18/h4-5,14-15H,12H2,1-3H3",CC=CC#CC#CC#CC1(C)C(Cl)C1COC(C)=O,C16H15ClO2,pos_2MH,274.0760574,HXFHMJJSRQBCMG,Fatty acids,,,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
46,5632,-1,,,,0.0,MS1_match,HXFHMJJSRQBCMG-UHFFFAOYSA-N,"InChI=1S/C16H15ClO2/c1-4-5-6-7-8-9-10-11-16(3)14(15(16)17)12-19-13(2)18/h4-5,14-15H,12H2,1-3H3",CC=CC#CC#CC#CC1(C)C(Cl)C1COC(C)=O,C16H15ClO2,pos_2MH,274.0760574,HXFHMJJSRQBCMG,Fatty acids,,,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
47,5631,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
48,5631,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0
49,5628,-1,,,,0.44758967,ISDB,CVVBJPYJIWDRMQ-FVRSRKCVSA-N,"InChI=1S/C30H40O8/c1-18-12-19(2)15-24(31)30(34)27-17-26(25(37-27)11-10-23-14-20(3)16-29(33)36-23)38-28(32)9-5-7-21-6-4-8-22(13-18)35-21/h4-6,9-11,16,18,21-27,30-31,34H,2,7-8,12-15,17H2,1,3H3/b9-5-,11-10+/t18-,21-,22-,23+,24-,25-,26-,27+,30-/m0/s1",C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]3C[C@@H](O[C@H]3/C=C/[C@@H]3CC(C)=CC(=O)O3)[C@@H](O)[C@@H](O)C1)O2,C30H40O8,,528.2723182399999,CVVBJPYJIWDRMQ,,,,Cacospongia mycofijiensis,636644.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Cacospongia'],['Cacospongia mycofijiensis'],2,0,3.7903586626052856
50,5627,141,,,,0.65107566,ISDB,,,,,,,NABYCXSHQMCCEZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6043026447296143
51,5625,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.41435677,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.157427072525024
52,5624,-1,,,,0.54079413,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.163176536560059
53,5624,-1,,,,0.54079413,ISDB,FPIPGXGPPPQFEQ-OVSJKPMPSA-N,"InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,C20H30O,,286.22966558,FPIPGXGPPPQFEQ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.163176536560059
54,5623,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.21456511,ISDB,OWTUXEJSNHQPGD-UMZIEWCISA-N,"InChI=1S/C32H52O6/c1-20(11-14-27-31(7,8)29(37)16-17-32(27,9)38-23(4)33)10-13-24(34)18-22(3)26(35)19-25-21(2)12-15-28(36)30(25,5)6/h10,12,18,24-27,29,34-35,37H,11,13-17,19H2,1-9H3/b20-10+,22-18+/t24-,25-,26+,27+,29+,32+/m1/s1",CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@@H](O)/C=C(\C)[C@@H](O)C[C@@H]1C(C)=CCC(=O)C1(C)C,C32H52O6,,532.3763893839999,OWTUXEJSNHQPGD,Terpenoids,Sesterterpenoids,Monocarbocyclic sesterterpenoids,Lipastrotethya,2835907.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Bubarida'],['Dictyonellidae'],['Unknown'],['Lipastrotethya'],['Unknown'],2,1,3.358260452747345
55,5622,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,pos_1_1proton1methanol,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
56,5620,18,Alkaloids,Ornithine alkaloids,Polyamines,0.48993242,ISDB,KTZNZCYTXQYEHT-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)",NCCCCNC(=O)C=Cc1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.4597296714782715
57,5620,18,Alkaloids,Ornithine alkaloids,Polyamines,0.48993242,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.4597296714782715
58,5620,18,Alkaloids,Ornithine alkaloids,Polyamines,0.48993242,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.4597296714782715
59,5619,-1,,,,0.0,MS1_match,MAXYHHZTXLLETH-DXUXYEMRSA-N,"InChI=1S/C49H82O26/c1-7-49(6,75-48-41(65)36(60)42(27(19-52)71-48)73-47-39(63)34(58)31(55)26(18-51)70-47)16-10-15-25(17-50)14-9-12-21(2)11-8-13-22(3)67-45-40(64)35(59)43(74-46-38(62)33(57)30(54)24(5)69-46)28(72-45)20-66-44-37(61)32(56)29(53)23(4)68-44/h7,12-13,15,23-24,26-48,50-65H,1,8-11,14,16-20H2,2-6H3/b21-12+,22-13-,25-15-/t23-,24-,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49+/m0/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)CC/C=C(/C)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,C49H82O26,pos_2_2proton2acetonitrile,1086.509432744,MAXYHHZTXLLETH,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum chinense,216347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum chinense'],6,0,6.0
60,5617,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,ZQTAMPRZFOOEEP-UHFFFAOYSA-N,"InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O,C21H39O7P,pos_1_1proton1acetonitrile,434.2433402179999,ZQTAMPRZFOOEEP,Fatty acids,Glycerophospholipids,Glycerophosphates,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,2,7.0
61,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
62,5614,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0
63,5614,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
64,5614,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0
65,5614,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
66,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
67,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0
68,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0
69,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0
70,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0
71,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0
72,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
73,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0
74,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
75,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
76,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
77,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
78,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
79,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
80,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0
81,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0
82,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0
83,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0
84,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0
85,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
86,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0
87,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
88,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
89,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
90,5614,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
91,5614,-1,,,,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_1_1proton,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
92,5612,-1,,,,0.41205782,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],4,0,5.648231267929077
93,5612,-1,,,,0.41205782,ISDB,XYWRZQQANNOTTD-SVFBPWRDSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3/t18-,19+,21-/m1/s1",COc1cc2c(cc1OC)[C@@H]1O[C@@H](O)c3c(ccc4c3OCO4)[C@H]1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],4,0,5.648231267929077
94,5612,-1,,,,0.41205782,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver glaucum,84040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver glaucum'],4,0,5.648231267929077
95,5612,-1,,,,0.41205782,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],4,0,5.648231267929077
96,5612,-1,,,,0.41205782,ISDB,XYWRZQQANNOTTD-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(24-2)16(25-3)9-13(11)19-18(22)12-4-5-14-20(27-10-26-14)17(12)21(23)28-19/h4-5,8-9,18-19,21,23H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1OC(O)c3c(ccc4c3OCO4)C1N(C)CC2,C21H23NO6,,385.152537456,XYWRZQQANNOTTD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],4,0,5.648231267929077
97,5611,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
98,5611,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
99,5611,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
100,5611,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
101,5611,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1sodium,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
102,5611,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
103,5610,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
104,5610,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
105,5609,-1,,,,0.0,MS1_match,YHNVNIVDFFAESM-UHFFFAOYSA-N,"InChI=1S/C21H28O9/c1-4-26-15-9-12-16(20(28-15)27-5-2)21(10-22)18(30-21)17(12)29-19(24)11-6-7-13(23)14(8-11)25-3/h6-8,12,15-18,20,22-23H,4-5,9-10H2,1-3H3",CCOC1CC2C(OC(=O)c3ccc(O)c(OC)c3)C3OC3(CO)C2C(OCC)O1,C21H28O9,pos_1_1proton1methanol,424.173332476,YHNVNIVDFFAESM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
106,5609,-1,,,,0.0,MS1_match,YHNVNIVDFFAESM-LYJJHTRHSA-N,"InChI=1S/C21H28O9/c1-4-26-15-9-12-16(20(28-15)27-5-2)21(10-22)18(30-21)17(12)29-19(24)11-6-7-13(23)14(8-11)25-3/h6-8,12,15-18,20,22-23H,4-5,9-10H2,1-3H3/t12-,15+,16-,17+,18+,20+,21-/m1/s1",CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)c(OC)c3)[C@@H]3O[C@]3(CO)[C@H]2[C@@H](OCC)O1,C21H28O9,pos_1_1proton1methanol,424.173332476,YHNVNIVDFFAESM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
107,5608,52,Terpenoids,Meroterpenoids,Tetraketide meroterpenoids,0.22369042,ISDB,MUPDKCFZUFURPT-QCKNELIISA-N,"InChI=1S/C37H60O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-36(39)42-29-32-27-35(41-5)33(37(40)34(32)28-38)26-25-31(4)23-21-22-30(2)3/h22,25,27-28,40H,6-21,23-24,26,29H2,1-5H3/b31-25+",CCCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CCC=C(C)C)c(O)c1C=O,C37H60O5,,584.44407502,MUPDKCFZUFURPT,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Hericium erinaceus,240840.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Russulales'],['Hericiaceae'],['Unknown'],['Hericium'],['Hericium erinaceus'],1,3,3.3947616815567017
108,5605,141,,,,0.64945763,ISDB,,,,,,,NABYCXSHQMCCEZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5978305339813232
109,5603,81,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
110,5603,81,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1proton1ammonium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
111,5602,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5172568,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],4,3,7.5690271854400635
112,5602,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5172568,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Remusatia vivipara,1023103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Remusatia'],['Remusatia vivipara'],4,3,7.5690271854400635
113,5602,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5172568,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.5690271854400635
114,5602,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5172568,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Magnolia officinalis,256695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia officinalis'],4,3,7.5690271854400635
115,5602,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5172568,ISDB,SFUVCMKSYKHYLD-FNORWQNLSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)/b7-5+",COc1cc(/C=C/C(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.5690271854400635
116,5602,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5172568,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.5690271854400635
117,5600,-1,,,,0.0,MS1_match,CSSGXDLJYUSHNP-RKAFHDNISA-N,"InChI=1S/C25H36O5/c1-7-15(2)22(27)29-20-12-16(3)23(4,11-10-17-13-21(26)28-14-17)18-8-9-19-25(6,30-19)24(18,20)5/h7,13,16,18-20H,8-12,14H2,1-6H3/b15-7-/t16-,18+,19-,20-,23+,24+,25-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@]12C,C25H36O5,pos_2MFe,416.256274252,CSSGXDLJYUSHNP,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago nemoralis,788652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago nemoralis'],6,0,6.0
118,5600,-1,,,,0.0,MS1_match,KTPSVDHGTNWZOZ-HSBRUWHWSA-N,"InChI=1S/C25H36O5/c1-5-15(2)19(26)30-20-24-12-9-17-22(3,10-6-11-23(17,4)21(27)28)18(24)8-7-16(13-24)25(20)14-29-25/h5,16-18,20H,6-14H2,1-4H3,(H,27,28)/b15-5-/t16-,17+,18+,20-,22-,23-,24-,25+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H](C3)[C@@]12CO2,C25H36O5,pos_2MFe,416.256274252,KTPSVDHGTNWZOZ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Smallanthus connatus,903565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus connatus'],6,0,6.0
119,5600,-1,,,,0.0,MS1_match,KTPSVDHGTNWZOZ-HSBRUWHWSA-N,"InChI=1S/C25H36O5/c1-5-15(2)19(26)30-20-24-12-9-17-22(3,10-6-11-23(17,4)21(27)28)18(24)8-7-16(13-24)25(20)14-29-25/h5,16-18,20H,6-14H2,1-4H3,(H,27,28)/b15-5-/t16-,17+,18+,20-,22-,23-,24-,25+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H](C3)[C@@]12CO2,C25H36O5,pos_2MFe,416.256274252,KTPSVDHGTNWZOZ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Smallanthus sonchifolius,550168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus sonchifolius'],6,0,6.0
120,5600,-1,,,,0.0,MS1_match,KTPSVDHGTNWZOZ-HSBRUWHWSA-N,"InChI=1S/C25H36O5/c1-5-15(2)19(26)30-20-24-12-9-17-22(3,10-6-11-23(17,4)21(27)28)18(24)8-7-16(13-24)25(20)14-29-25/h5,16-18,20H,6-14H2,1-4H3,(H,27,28)/b15-5-/t16-,17+,18+,20-,22-,23-,24-,25+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H](C3)[C@@]12CO2,C25H36O5,pos_2MFe,416.256274252,KTPSVDHGTNWZOZ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Wedelia acapulcensis,4727353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia acapulcensis'],6,0,6.0
121,5600,-1,,,,0.0,MS1_match,PKEPHVQAGVWWSL-UBOZPQRFSA-N,"InChI=1S/C25H36O5/c1-14-16-7-8-18-22(3)10-6-11-23(4,20(26)27)17(22)9-12-25(18,13-16)19(14)29-21(28)24(5)15(2)30-24/h15-19H,1,6-13H2,2-5H3,(H,26,27)/t15-,16-,17+,18+,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1OC(=O)[C@@]1(C)O[C@@H]1C,C25H36O5,pos_2MFe,416.256274252,PKEPHVQAGVWWSL,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Helianthus debilis,195540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus debilis'],6,0,6.0
122,5600,-1,,,,0.0,MS1_match,PKEPHVQAGVWWSL-UBOZPQRFSA-N,"InChI=1S/C25H36O5/c1-14-16-7-8-18-22(3)10-6-11-23(4,20(26)27)17(22)9-12-25(18,13-16)19(14)29-21(28)24(5)15(2)30-24/h15-19H,1,6-13H2,2-5H3,(H,26,27)/t15-,16-,17+,18+,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@H]1OC(=O)[C@@]1(C)O[C@@H]1C,C25H36O5,pos_2MFe,416.256274252,PKEPHVQAGVWWSL,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Wedelia acapulcensis var. hispida,5536982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia acapulcensis'],6,0,6.0
123,5600,-1,,,,0.0,MS1_match,HNEUKNXSHZGUKP-RAJBLAGTSA-N,"InChI=1S/C25H36O5/c1-6-16(2)23(28)30-20(18-11-13-29-15-18)14-25(5)17(3)10-12-24(4)19(22(26)27)8-7-9-21(24)25/h8,11,13,15-17,20-21H,6-7,9-10,12,14H2,1-5H3,(H,26,27)/t16-,17-,20-,21+,24+,25+/m1/s1",CC[C@@H](C)C(=O)O[C@H](C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@H]12)c1ccoc1,C25H36O5,pos_2MFe,416.256274252,HNEUKNXSHZGUKP,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Heteropappus altaicus,820265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster altaicus'],6,0,6.0
124,5600,-1,,,,0.0,MS1_match,HNEUKNXSHZGUKP-RAJBLAGTSA-N,"InChI=1S/C25H36O5/c1-6-16(2)23(28)30-20(18-11-13-29-15-18)14-25(5)17(3)10-12-24(4)19(22(26)27)8-7-9-21(24)25/h8,11,13,15-17,20-21H,6-7,9-10,12,14H2,1-5H3,(H,26,27)/t16-,17-,20-,21+,24+,25+/m1/s1",CC[C@@H](C)C(=O)O[C@H](C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@H]12)c1ccoc1,C25H36O5,pos_2MFe,416.256274252,HNEUKNXSHZGUKP,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Aster altaicus,820265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster altaicus'],6,0,6.0
125,5600,-1,,,,0.0,MS1_match,CVMAUJSKSKXOQX-JUMNDZEQSA-N,"InChI=1S/C25H36O5/c1-9-13(3)22(27)29-17-12-25(8)18-15(5)11-16(26)19(25)20(18)24(6,7)21(17)30-23(28)14(4)10-2/h9-10,15,17-21H,11-12H2,1-8H3/b13-9-,14-10-/t15-,17+,18+,19-,20+,21-,25-/m1/s1",C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C(C)(C)[C@@H]1OC(=O)/C(C)=C\C,C25H36O5,pos_2MFe,416.256274252,CVMAUJSKSKXOQX,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],6,0,6.0
126,5600,-1,,,,0.0,MS1_match,MGYIBPCLTDVOCT-JUXBCFJSSA-N,"InChI=1S/C25H36O5/c1-22(16-26)9-4-10-23(2)18(22)8-12-25-14-13-24(15-25,11-7-19(23)25)17-30-21(28)6-5-20(27)29-3/h13-14,16,18-19H,4-12,15,17H2,1-3H3/t18-,19+,22+,23-,24+,25+/m1/s1",COC(=O)CCC(=O)OC[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]3CC1)C2,C25H36O5,pos_2MFe,416.256274252,MGYIBPCLTDVOCT,Terpenoids,Diterpenoids,Beyerane diterpenoids,Polycalymma stuartii,1076957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Polycalymma'],['Polycalymma stuartii'],6,0,6.0
127,5600,-1,,,,0.0,MS1_match,SCDIIKOGQOUENK-UHGMAVJCSA-N,"InChI=1S/C25H36O5/c1-9-14(4)23(28)30-17-12-18(29-19(27)10-13(2)3)25(8)20-15(5)11-16(26)21(25)22(20)24(17,6)7/h9,11,13,17-18,20-22H,10,12H2,1-8H3/b14-9-/t17-,18-,20+,21-,22+,25-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C,C25H36O5,pos_2MFe,416.256274252,SCDIIKOGQOUENK,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia salicifolia,1079882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia salicifolia'],6,0,6.0
128,5600,-1,,,,0.0,MS1_match,LIAWUIZUTWKGIA-UPAQVRMQSA-N,"InChI=1S/C25H36O5/c1-6-16(2)23(28)30-20-14-18(22(26)27)19(9-8-17-10-13-29-15-17)25(5)12-7-11-24(3,4)21(20)25/h10,13-16,19-21H,6-9,11-12H2,1-5H3,(H,26,27)/t16-,19+,20-,21+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C=C(C(=O)O)[C@H](CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12,C25H36O5,pos_2MFe,416.256274252,LIAWUIZUTWKGIA,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia espinosae,7599133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia espinosae'],6,0,6.0
129,5600,-1,,,,0.0,MS1_match,KTPSVDHGTNWZOZ-ZYRZPXLGSA-N,"InChI=1S/C25H36O5/c1-5-15(2)19(26)30-20-24-12-9-17-22(3,10-6-11-23(17,4)21(27)28)18(24)8-7-16(13-24)25(20)14-29-25/h5,16-18,20H,6-14H2,1-4H3,(H,27,28)/b15-5-/t16-,17+,18+,20-,22-,23-,24-,25-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H](C3)[C@]12CO2,C25H36O5,pos_2MFe,416.256274252,KTPSVDHGTNWZOZ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Smallanthus fruticosus,903567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus fruticosus'],6,0,6.0
130,5600,-1,,,,0.0,MS1_match,NFWZXVSKNLGGCD-PCSPVURESA-N,"InChI=1S/C25H36O5/c1-9-13(3)22(27)29-17-12-25(8)18-15(5)11-16(26)19(25)20(18)24(6,7)21(17)30-23(28)14(4)10-2/h10-11,13,17-21H,9,12H2,1-8H3/b14-10-/t13-,17-,18-,19+,20-,21+,25+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)[C@@H](C)CC)C[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C,C25H36O5,pos_2MFe,416.256274252,NFWZXVSKNLGGCD,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia pilosa,282022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia pilosa'],6,0,6.0
131,5600,-1,,,,0.0,MS1_match,UDEUMDOZUGPOFS-PUXQNVAISA-N,"InChI=1S/C25H36O5/c1-9-15(5)23(27)29-21-19(14(3)4)13-25(8)17(7)11-18(26)12-20(25)22(21)30-24(28)16(6)10-2/h9-10,17,19-22H,3,11-13H2,1-2,4-8H3/b15-9-,16-10-/t17-,19+,20+,21+,22-,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC(=O)C[C@@H]2C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1OC(=O)/C(C)=C\C,C25H36O5,pos_2MFe,416.256274252,UDEUMDOZUGPOFS,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops algoensis,762412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops algoensis'],6,0,6.0
132,5600,-1,,,,0.0,MS1_match,UDEUMDOZUGPOFS-HVQJYPFYSA-N,"InChI=1S/C25H36O5/c1-9-15(5)23(27)29-21-19(14(3)4)13-25(8)17(7)11-18(26)12-20(25)22(21)30-24(28)16(6)10-2/h9-10,17,19-22H,3,11-13H2,1-2,4-8H3/b15-9+,16-10+/t17-,19-,20+,21-,22+,25+/m0/s1",C=C(C)[C@@H]1C[C@@]2(C)[C@H](CC(=O)C[C@@H]2C)[C@@H](OC(=O)/C(C)=C/C)[C@H]1OC(=O)/C(C)=C/C,C25H36O5,pos_2MFe,416.256274252,UDEUMDOZUGPOFS,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops virgineus,888569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops virgineus'],6,0,6.0
133,5600,-1,,,,0.0,MS1_match,UNJLGZXKJQZIHO-ABGKXLOESA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)30-22-19(15(4)5)13-25(8)17(7)11-18(26)12-20(25)23(22)29-21(27)10-14(2)3/h9-10,17,19-20,22-23H,4,11-13H2,1-3,5-8H3/b16-9+/t17-,19+,20+,22+,23-,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC(=O)C[C@@H]2C)[C@H](OC(=O)C=C(C)C)[C@@H]1OC(=O)/C(C)=C/C,C25H36O5,pos_2MFe,416.256274252,UNJLGZXKJQZIHO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops algoensis,762412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops algoensis'],6,0,6.0
134,5600,-1,,,,0.0,MS1_match,BUDAMNIUJPUZEA-GUXLUQIISA-N,"InChI=1S/C25H36O5/c1-9-13(3)22(27)29-17-12-18(30-23(28)14(4)10-2)25(8)19-15(5)11-16(26)20(25)21(19)24(17,6)7/h9-10,15,17-21H,11-12H2,1-8H3/b13-9-,14-10-/t15-,17-,18-,19+,20-,21+,25-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C1(C)C,C25H36O5,pos_2MFe,416.256274252,BUDAMNIUJPUZEA,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia potrerensis,7604480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia potrerensis'],6,0,6.0
135,5600,-1,,,,0.0,MS1_match,LMKIKXBJEVOGLH-HDQBBZGBSA-N,"InChI=1S/C25H36O5/c1-14(2)11-21(26)29-20-10-9-19-24(30-22(27)12-15(3)4)23(28)18(16(5)6)13-25(19,8)17(20)7/h11-12,17-20,24H,5,9-10,13H2,1-4,6-8H3/t17-,18+,19+,20+,24+,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.2562742519999,LMKIKXBJEVOGLH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio provincialis,165673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio provincialis'],6,0,6.0
136,5600,-1,,,,0.0,MS1_match,LMKIKXBJEVOGLH-HDQBBZGBSA-N,"InChI=1S/C25H36O5/c1-14(2)11-21(26)29-20-10-9-19-24(30-22(27)12-15(3)4)23(28)18(16(5)6)13-25(19,8)17(20)7/h11-12,17-20,24H,5,9-10,13H2,1-4,6-8H3/t17-,18+,19+,20+,24+,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.2562742519999,LMKIKXBJEVOGLH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio sandersonii,6057003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio sandersonii'],6,0,6.0
137,5600,-1,,,,0.0,MS1_match,QTZULONSECXBEU-CJAVWFLOSA-N,"InChI=1S/C25H36O5/c1-9-15(5)23(27)29-20-12-11-19-22(30-24(28)16(6)10-2)21(26)18(14(3)4)13-25(19,8)17(20)7/h9-10,17-20,22H,3,11-13H2,1-2,4-8H3/b15-9-,16-10-/t17-,18+,19+,20+,22+,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](OC(=O)/C(C)=C\C)C1=O,C25H36O5,pos_2MFe,416.2562742519999,QTZULONSECXBEU,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio provincialis,165673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio provincialis'],6,0,6.0
138,5600,-1,,,,0.0,MS1_match,ULHQJKWCAOIZNP-XWUMIYTGSA-N,"InChI=1S/C25H36O5/c1-8-14(3)22(27)29-13-24(6)11-10-18(30-23(28)15(4)9-2)25(7)19-16(5)12-17(26)20(25)21(19)24/h8-9,16,18-21H,10-13H2,1-7H3/b14-8+,15-9-/t16-,18-,19+,20-,21+,24-,25-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CC[C@](C)(COC(=O)/C(C)=C/C)[C@H]2[C@@H]3[C@H](C)CC(=O)[C@H]2[C@@]31C,C25H36O5,pos_2MFe,416.256274252,ULHQJKWCAOIZNP,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia viscida,1029072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia viscida'],6,0,6.0
139,5600,-1,,,,0.0,MS1_match,APJZUKRTSFYJOW-ZQLRSCNJSA-N,"InChI=1S/C25H36O5/c1-6-16(2)22(26)30-19-13-24(4)20(9-8-18-11-12-29-15-18)17(3)7-10-21(24)25(5,14-19)23(27)28/h7,11-12,15-16,19-21H,6,8-10,13-14H2,1-5H3,(H,27,28)/t16-,19-,20+,21-,24-,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC=C(C)[C@@H]2CCc2ccoc2)[C@](C)(C(=O)O)C1,C25H36O5,pos_2MFe,416.256274252,APJZUKRTSFYJOW,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia resinosa,7599154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia resinosa'],6,0,6.0
140,5600,-1,,,,0.0,MS1_match,WBYDQQMHZCPXSI-CQSZGSHISA-N,"InChI=1S/C25H36O5/c1-16(2)12-22(26)30-19-13-24(4)20(8-7-18-10-11-29-15-18)17(3)6-9-21(24)25(5,14-19)23(27)28/h6,10-11,15-16,19-21H,7-9,12-14H2,1-5H3,(H,27,28)/t19-,20+,21-,24-,25-/m1/s1",CC1=CC[C@@H]2[C@](C)(C[C@@H](OC(=O)CC(C)C)C[C@@]2(C)C(=O)O)[C@H]1CCc1ccoc1,C25H36O5,pos_2MFe,416.256274252,WBYDQQMHZCPXSI,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia resinosa,7599154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia resinosa'],6,0,6.0
141,5600,-1,,,,0.0,MS1_match,JXAWKPXWXJLUMA-YVPIJICJSA-N,"InChI=1S/C25H36O5/c1-7-15(2)23(28)30-21-12-16(3)24(5,11-10-18-13-22(27)29-14-18)20-9-8-19(26)17(4)25(20,21)6/h7,13,16-17,20-21H,8-12,14H2,1-6H3/b15-7+/t16-,17+,20+,21-,24-,25+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC(=O)[C@H](C)[C@]12C,C25H36O5,pos_2MFe,416.256274252,JXAWKPXWXJLUMA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,0,6.0
142,5600,-1,,,,0.0,MS1_match,BBVMQJIDBJNEFS-YNGFEMSNSA-N,"InChI=1S/C25H36O5/c1-5-29-22(26)15-23(27)30-17-20-7-6-8-21-24(3,13-10-19-11-14-28-16-19)18(2)9-12-25(20,21)4/h7,11,14,16,18,21H,5-6,8-10,12-13,15,17H2,1-4H3/t18-,21-,24+,25+/m1/s1",CCOC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C,C25H36O5,pos_2MFe,416.256274252,BBVMQJIDBJNEFS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis tola,7051199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis tola'],6,0,6.0
143,5600,-1,,,,0.0,MS1_match,NVEWIEAUNOPBPT-GKYFPXRSSA-N,"InChI=1S/C25H36O5/c1-7-15(2)23(28)30-21-11-16(3)24(5,9-8-18-12-22(27)29-14-18)20-13-19(26)10-17(4)25(20,21)6/h7,10,12,16,19-21,26H,8-9,11,13-14H2,1-6H3/b15-7-/t16-,19+,20+,21-,24-,25+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2C[C@@H](O)C=C(C)[C@]12C,C25H36O5,pos_2MFe,416.256274252,NVEWIEAUNOPBPT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,0,6.0
144,5600,-1,,,,0.0,MS1_match,HKQIXOUMCBRAQG-DCDJFBNSSA-N,"InChI=1S/C25H36O5/c1-16(2)22(26)30-21-11-13-24(4)19(9-8-18-12-14-29-15-18)17(3)7-10-20(24)25(21,5)23(27)28-6/h12,14-16,19-21H,3,7-11,13H2,1-2,4-6H3/t19-,20+,21-,24+,25-/m1/s1",C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)C(C)C)[C@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1,C25H36O5,pos_2MFe,416.256274252,HKQIXOUMCBRAQG,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia sarothrae,991721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia sarothrae'],6,0,6.0
145,5600,-1,,,,0.0,MS1_match,OYHUVLDVWBMUEA-NBMBROAQSA-N,"InChI=1S/C25H36O5/c1-18-6-5-7-21-24(18,2)14-11-20(17-30-23(27)9-8-22(26)28-4)25(21,3)13-10-19-12-15-29-16-19/h6,12,15-16,20-21H,5,7-11,13-14,17H2,1-4H3/t20-,21-,24-,25-/m0/s1",COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1,C25H36O5,pos_2MFe,416.256274252,OYHUVLDVWBMUEA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis bolivensis,715543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis boliviensis'],6,0,6.0
146,5600,-1,,,,0.0,MS1_match,CSSGXDLJYUSHNP-ZNBOTFOFSA-N,"InChI=1S/C25H36O5/c1-7-15(2)22(27)29-20-12-16(3)23(4,11-10-17-13-21(26)28-14-17)18-8-9-19-25(6,30-19)24(18,20)5/h7,13,16,18-20H,8-12,14H2,1-6H3/b15-7+/t16-,18+,19+,20-,23-,24+,25+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@@H]3O[C@]3(C)[C@]12C,C25H36O5,pos_2MFe,416.256274252,CSSGXDLJYUSHNP,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago altissima,872344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago canadensis'],6,0,6.0
147,5600,-1,,,,0.0,MS1_match,CSSGXDLJYUSHNP-MTRMNIFUSA-N,"InChI=1S/C25H36O5/c1-7-15(2)22(27)29-20-12-16(3)23(4,11-10-17-13-21(26)28-14-17)18-8-9-19-25(6,30-19)24(18,20)5/h7,13,16,18-20H,8-12,14H2,1-6H3/b15-7-/t16-,18+,19-,20-,23-,24+,25-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CC[C@H]3O[C@@]3(C)[C@]12C,C25H36O5,pos_2MFe,416.256274252,CSSGXDLJYUSHNP,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,0,6.0
148,5600,-1,,,,0.0,MS1_match,AAACJXBPRRVSAV-IWOFRZIQSA-N,"InChI=1S/C25H36O5/c1-15(2)13-19(26)30-20-16(3)17-7-12-25(29)23(5)10-6-9-22(4,21(27)28)18(23)8-11-24(20,25)14-17/h13,17-18,20,29H,3,6-12,14H2,1-2,4-5H3,(H,27,28)/t17-,18-,20+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)C=C(C)C,C25H36O5,pos_2MFe,416.2562742519999,AAACJXBPRRVSAV,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Wedelia hookeriana,7606224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia hookeriana'],6,0,6.0
149,5600,-1,,,,0.0,MS1_match,AAACJXBPRRVSAV-IWOFRZIQSA-N,"InChI=1S/C25H36O5/c1-15(2)13-19(26)30-20-16(3)17-7-12-25(29)23(5)10-6-9-22(4,21(27)28)18(23)8-11-24(20,25)14-17/h13,17-18,20,29H,3,6-12,14H2,1-2,4-5H3,(H,27,28)/t17-,18-,20+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)C=C(C)C,C25H36O5,pos_2MFe,416.2562742519999,AAACJXBPRRVSAV,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Ichthyothere terminalis,685417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Ichthyothere'],['Ichthyothere terminalis'],6,0,6.0
150,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-ZAZHWSNDSA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17-,18-,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C\C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Wedelia hookeriana,7606224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia hookeriana'],6,0,6.0
151,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-HUMFMXAESA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18-,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C/C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Wedelia silphioides,7606275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia silphioides'],6,0,6.0
152,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-HUMFMXAESA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18-,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C/C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Aspilia silphioides,7606275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia silphioides'],6,0,6.0
153,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-ZAZHWSNDSA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17-,18-,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C\C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Wedelia angustifolia,7606169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia angustifolia'],6,0,6.0
154,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-YYZYQLJPSA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17-,18-,19+,22-,23-,24+,25-/m0/s1",C=C1[C@H]2CC[C@@]3(O)[C@](CC[C@@H]4[C@]3(C)CCC[C@]4(C)C(=O)O)(C2)[C@@H]1OC(=O)/C(C)=C\C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Oyedaea verbesinoides,875354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Oyedaea'],['Oyedaea verbesinoides'],6,0,6.0
155,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-HUMFMXAESA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18-,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C/C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Gonzalezia hypargyrea,757768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Viguiera'],['Viguiera hypargyrea'],6,0,6.0
156,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-SHFDLDCMSA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17-,18+,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C\C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Goyazianthus tetrastichus,5920841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Goyazianthus'],['Goyazianthus tetrastichus'],6,0,6.0
157,5600,-1,,,,0.0,MS1_match,OYHUVLDVWBMUEA-NBMBROAQSA-N,"InChI=1S/C25H36O5/c1-18-6-5-7-21-24(18,2)14-11-20(17-30-23(27)9-8-22(26)28-4)25(21,3)13-10-19-12-15-29-16-19/h6,12,15-16,20-21H,5,7-11,13-14,17H2,1-4H3/t20-,21-,24-,25-/m0/s1",COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1,C25H36O5,pos_2MFe,416.256274252,OYHUVLDVWBMUEA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis boliviensis,715543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis boliviensis'],6,0,6.0
158,5600,-1,,,,0.0,MS1_match,CSECYHNWAWCJBQ-ZAZHWSNDSA-N,"InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6-/t17-,18-,19+,22-,23-,24+,25-/m1/s1",C=C1[C@@H]2CC[C@]3(O)[C@@](CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]43C)(C2)[C@H]1OC(=O)/C(C)=C\C,C25H36O5,pos_2MFe,416.256274252,CSECYHNWAWCJBQ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Steiractinia sodiroi,722735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Steiractinia'],['Steiractinia sodiroi'],6,0,6.0
159,5600,-1,,,,0.0,MS1_match,YQEKVEAITURWAU-WOYDVJEJSA-N,"InChI=1S/C25H36O5/c1-6-16(2)23(28)30-21-11-12-24(4)19(9-8-18-13-22(27)29-14-18)17(3)7-10-20(24)25(21,5)15-26/h6,13,19-21,26H,3,7-12,14-15H2,1-2,4-5H3/b16-6+/t19-,20+,21-,24-,25-/m1/s1",C=C1CC[C@H]2[C@](C)(CC[C@@H](OC(=O)/C(C)=C/C)[C@]2(C)CO)[C@@H]1CCC1=CC(=O)OC1,C25H36O5,pos_2MFe,416.256274252,YQEKVEAITURWAU,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia solbrigii,7599156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia solbrigii'],6,0,6.0
160,5600,-1,,,,0.0,MS1_match,RCRXCWHJSLXPPV-AYUPDJHESA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)30-23-19-10-11-20(29-21(26)12-14(2)3)17(7)25(19,8)13-18(15(4)5)22(23)27/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9+/t17-,18-,19-,20+,23-,25+/m0/s1",C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)[C@H](OC(=O)C=C(C)C)CC[C@H]2[C@H](OC(=O)/C(C)=C/C)C1=O,C25H36O5,pos_2MFe,416.256274252,RCRXCWHJSLXPPV,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio umgeniensis,7609893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio umgeniensis'],6,0,6.0
161,5600,-1,,,,0.0,MS1_match,RCRXCWHJSLXPPV-AYUPDJHESA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)30-23-19-10-11-20(29-21(26)12-14(2)3)17(7)25(19,8)13-18(15(4)5)22(23)27/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9+/t17-,18-,19-,20+,23-,25+/m0/s1",C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)[C@H](OC(=O)C=C(C)C)CC[C@H]2[C@H](OC(=O)/C(C)=C/C)C1=O,C25H36O5,pos_2MFe,416.256274252,RCRXCWHJSLXPPV,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio variabilis,7609903.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio variabilis'],6,0,6.0
162,5600,-1,,,,0.0,MS1_match,RCRXCWHJSLXPPV-OQJKTMFXSA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)30-23-19-10-11-20(29-21(26)12-14(2)3)17(7)25(19,8)13-18(15(4)5)22(23)27/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9+/t17-,18+,19+,20+,23+,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](OC(=O)/C(C)=C/C)C1=O,C25H36O5,pos_2MFe,416.256274252,RCRXCWHJSLXPPV,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio rhyncholaenus,6056995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio rhyncholaenus'],6,0,6.0
163,5600,-1,,,,0.0,MS1_match,RCRXCWHJSLXPPV-QUJQLBJQSA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)30-23-19-10-11-20(29-21(26)12-14(2)3)17(7)25(19,8)13-18(15(4)5)22(23)27/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9-/t17-,18+,19+,20+,23+,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)C=C(C)C)[C@@H]2C)[C@@H](OC(=O)/C(C)=C\C)C1=O,C25H36O5,pos_2MFe,416.256274252,RCRXCWHJSLXPPV,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio sandersonii,6057003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio sandersonii'],6,0,6.0
164,5600,-1,,,,0.0,MS1_match,PRPHOIJGTAGZKE-AYUPDJHESA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)29-20-11-10-19-23(30-21(26)12-14(2)3)22(27)18(15(4)5)13-25(19,8)17(20)7/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9+/t17-,18-,19-,20+,23-,25+/m0/s1",C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)[C@H](OC(=O)/C(C)=C/C)CC[C@H]2[C@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.256274252,PRPHOIJGTAGZKE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio umgeniensis,7609893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio umgeniensis'],6,0,6.0
165,5600,-1,,,,0.0,MS1_match,PRPHOIJGTAGZKE-AYUPDJHESA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)29-20-11-10-19-23(30-21(26)12-14(2)3)22(27)18(15(4)5)13-25(19,8)17(20)7/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9+/t17-,18-,19-,20+,23-,25+/m0/s1",C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)[C@H](OC(=O)/C(C)=C/C)CC[C@H]2[C@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.256274252,PRPHOIJGTAGZKE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio variabilis,7609903.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio variabilis'],6,0,6.0
166,5600,-1,,,,0.0,MS1_match,PRPHOIJGTAGZKE-QUJQLBJQSA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)29-20-11-10-19-23(30-21(26)12-14(2)3)22(27)18(15(4)5)13-25(19,8)17(20)7/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9-/t17-,18+,19+,20+,23+,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.2562742519999,PRPHOIJGTAGZKE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio provincialis,165673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio provincialis'],6,0,6.0
167,5600,-1,,,,0.0,MS1_match,PRPHOIJGTAGZKE-AYUPDJHESA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)29-20-11-10-19-23(30-21(26)12-14(2)3)22(27)18(15(4)5)13-25(19,8)17(20)7/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9+/t17-,18-,19-,20+,23-,25+/m0/s1",C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)[C@H](OC(=O)/C(C)=C/C)CC[C@H]2[C@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.256274252,PRPHOIJGTAGZKE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio umgeniensis,7609893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio umgeniensis'],6,0,6.0
168,5600,-1,,,,0.0,MS1_match,PRPHOIJGTAGZKE-AYUPDJHESA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)29-20-11-10-19-23(30-21(26)12-14(2)3)22(27)18(15(4)5)13-25(19,8)17(20)7/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9+/t17-,18-,19-,20+,23-,25+/m0/s1",C=C(C)[C@@H]1C[C@]2(C)[C@@H](C)[C@H](OC(=O)/C(C)=C/C)CC[C@H]2[C@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.256274252,PRPHOIJGTAGZKE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio variabilis,7609903.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio variabilis'],6,0,6.0
169,5600,-1,,,,0.0,MS1_match,PRPHOIJGTAGZKE-QUJQLBJQSA-N,"InChI=1S/C25H36O5/c1-9-16(6)24(28)29-20-11-10-19-23(30-21(26)12-14(2)3)22(27)18(15(4)5)13-25(19,8)17(20)7/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9-/t17-,18+,19+,20+,23+,25+/m0/s1",C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O,C25H36O5,pos_2MFe,416.2562742519999,PRPHOIJGTAGZKE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio provincialis,165673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio provincialis'],6,0,6.0
170,5600,-1,,,,0.0,MS1_match,QKFIDIQJEROXCT-PGUZGCDDSA-N,"InChI=1S/C25H36O5/c1-16(2)18-11-14-24(3)12-6-13-25(4,28)23(24)22(18)30-21(27)10-8-17-7-9-20(29-5)19(26)15-17/h7-10,15-16,18,22-23,26,28H,6,11-14H2,1-5H3/b10-8+/t18-,22+,23+,24+,25-/m0/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3[C@](C)(CCC[C@]3(C)O)CC[C@H]2C(C)C)cc1O,C25H36O5,pos_2MFe,416.256274252,QKFIDIQJEROXCT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina macrophylla,7605876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina macrophylla'],6,0,6.0
171,5600,-1,,,,0.0,MS1_match,URRSOXWGRAMYOW-FXVARMOYSA-N,"InChI=1S/C25H36O5/c1-7-15(2)22(27)29-18-13-24(5)19(8-9-20-25(24,6)30-20)23(4,16(18)3)11-10-17-12-21(26)28-14-17/h7,12,16,18-20H,8-11,13-14H2,1-6H3/b15-7-/t16-,18+,19-,20-,23+,24-,25-/m1/s1",C/C=C(/C)C(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]1C,C25H36O5,pos_2MFe,416.256274252,URRSOXWGRAMYOW,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago shortii,848464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago shortii'],6,0,6.0
172,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PJDABWGWSDUIAM-YGZRBXPVSA-N,"InChI=1S/C15H20O5/c1-7-11-9(17)5-15(2)10(18)4-3-8(6-16)12(15)13(11)20-14(7)19/h6,8-13,17-18H,1,3-5H2,2H3/t8-,9-,10+,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](C=O)CC[C@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,PJDABWGWSDUIAM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,1,7.5
173,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,1,7.5
174,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,1,7.5
175,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,1,7.5
176,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1ammonium,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,1,7.5
177,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,1,7.5
178,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,1,7.5
179,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,1,7.5
180,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,1,7.5
181,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,1,7.5
182,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YIRQAQBMBKUQDI-JGGVDJITSA-N,"InChI=1S/C15H20O5/c1-8-13-10(17)6-15(2)12(20-15)4-3-9(7-16)5-11(13)19-14(8)18/h5,10-13,16-17H,1,3-4,6-7H2,2H3/b9-5-/t10-,11+,12+,13+,15-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC[C@H]3O[C@@]3(C)C[C@H](O)[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,YIRQAQBMBKUQDI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,1,7.5
183,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RQRYYNCRMSFECR-VKKPVAOGSA-N,"InChI=1S/C15H23NO5/c1-4-16-13(19)11-9-8-21-15(20-3,12(9)18)10(17)6-5-7-14(11,16)2/h10,12,17-18H,4-8H2,1-3H3/b11-9-/t10-,12-,14+,15-/m0/s1",CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCC[C@]21C)[C@H]3O,C15H23NO5,pos_1_1proton,297.15762283600003,RQRYYNCRMSFECR,Terpenoids,,,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,1,7.5
184,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FSWPYMKNTNNDMB-UHFFFAOYSA-N,"InChI=1S/C15H20O5/c1-10(2)15(17)20-7-5-6-11-8-12(18-3)14(16)13(9-11)19-4/h5-6,8-10,16H,7H2,1-4H3",COc1cc(C=CCOC(=O)C(C)C)cc(OC)c1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,FSWPYMKNTNNDMB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Argyranthemum adauctum,614013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Argyranthemum'],['Argyranthemum adauctum'],6,3,7.5
185,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBHVJYRXIMGFCQ-UHFFFAOYSA-N,"InChI=1S/C13H16O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h2-7,11,15-16H,8-9H2,1H3",COc1cc(C=CC=O)ccc1OC(CO)CO,C13H16O5,pos_1_1proton1ethylamine,252.099773612,WBHVJYRXIMGFCQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Tanacetum parthenium,488828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum parthenium'],6,3,7.5
186,5599,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBHVJYRXIMGFCQ-UHFFFAOYSA-N,"InChI=1S/C13H16O5/c1-17-13-7-10(3-2-6-14)4-5-12(13)18-11(8-15)9-16/h2-7,11,15-16H,8-9H2,1H3",COc1cc(C=CC=O)ccc1OC(CO)CO,C13H16O5,pos_1_1proton1ethylamine,252.099773612,WBHVJYRXIMGFCQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,3,7.5
187,5597,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
188,5597,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
189,5597,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
190,5597,-1,,,,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
191,5597,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
192,5596,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton1isopropanol,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
193,5596,-1,,,,0.0,MS1_match,UBFTZAGDGOMJQE-SACPXRHSSA-N,"InChI=1S/C21H22O11/c22-7-14-17(27)18(28)19(29)21(31-14)32-20-15-10(24)5-12(8-1-3-9(23)4-2-8)30-13(15)6-11(25)16(20)26/h1-4,6,12,14,17-19,21-23,25-29H,5,7H2/t12-,14+,17+,18-,19+,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O11,pos_1_1proton1isopropanol,450.11621152399977,UBFTZAGDGOMJQE,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
194,5596,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton1isopropanol,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
195,5596,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1proton1isopropanol,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
196,5594,396,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,AMVINSXYOHNVTD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-6-4-11(10-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1ccc(C=CC(=O)NCCCCN)cc1O,C14H20N2O3,pos_1_1proton1ethylamine,264.1473925,AMVINSXYOHNVTD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
197,5594,396,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,pos_1_1proton1ethylamine,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
198,5592,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,pos_1_1proton1methanol,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],6,3,7.5
199,5592,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNVUDWOQYYWXBJ-IEGSVRCHSA-N,"InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C20H18O10,pos_1_1proton1methanol,418.089996776,RNVUDWOQYYWXBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],6,3,7.5
200,5590,1150,Fatty acids,Eicosanoids,Thromboxanes,0.4773705,ISDB,NGVOPKDYDKTASH-RGRKKRSMSA-N,"InChI=1S/C21H34O4/c1-3-4-5-6-7-11-14-19(22)20(24-2)17-16-18-13-10-8-9-12-15-21(23)25-18/h7-8,10-11,16-20,22H,3-6,9,12-15H2,1-2H3/b10-8?,11-7?,17-16+/t18-,19-,20?/m0/s1",CCCCCC=CC[C@H](O)C(/C=C/[C@@H]1CC=CCCCC(=O)O1)OC,C21H34O4,,350.245709568,NGVOPKDYDKTASH,Fatty acids,Eicosanoids,Thromboxanes,Topsentia,303880.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Topsentia'],['Unknown'],2,3,5.409482002258301
201,5589,-1,,,,0.35468808,ISDB,,,,,,,YDAKMIMUVCLFIN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4187523126602173
202,5587,426,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.506119,ISDB,SFVVMIZQMBRKSA-CMPLNLGQSA-N,"InChI=1S/C16H24O2/c1-9(2)12-7-6-10(3)14-13(18-5)8-11(4)16(17)15(12)14/h8-10,12,17H,6-7H2,1-5H3/t10-,12+/m0/s1",COc1cc(C)c(O)c2c1[C@@H](C)CC[C@@H]2C(C)C,C16H24O2,,248.177630008,SFVVMIZQMBRKSA,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Rhytisma fulvum,644103.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Rhytisma'],['Rhytisma fulvum'],2,3,5.524476051330566
203,5587,426,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.506119,ISDB,SFVVMIZQMBRKSA-JQWIXIFHSA-N,"InChI=1S/C16H24O2/c1-9(2)12-7-6-10(3)14-13(18-5)8-11(4)16(17)15(12)14/h8-10,12,17H,6-7H2,1-5H3/t10-,12-/m0/s1",COc1cc(C)c(O)c2c1[C@@H](C)CC[C@H]2C(C)C,C16H24O2,,248.177630008,SFVVMIZQMBRKSA,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Annella mollis,149911.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Subergorgiidae'],['Unknown'],['Annella'],['Annella mollis'],2,3,5.524476051330566
204,5586,-1,,,,0.0,MS1_match,XGBLAAVKNYADBQ-XBYPWPIDSA-N,"InChI=1S/C21H32O8/c1-10(19(26)27)12-4-6-21(3)7-5-14(11(2)13(21)8-12)28-20-18(25)17(24)16(23)15(9-22)29-20/h12-18,20,22-25H,1-2,4-9H2,3H3,(H,26,27)/t12-,13+,14+,15-,16-,17+,18-,20-,21+/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2C1,C21H32O8,pos_1_1sodium,412.209717984,XGBLAAVKNYADBQ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
205,5586,-1,,,,0.0,MS1_match,NEXSBALMSXZOLS-MRJURFKTSA-N,"InChI=1S/C21H32O8/c1-11-4-3-5-13(6-7-14-12(2)20(26)28-15(14)8-11)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12,14-19,21-25H,3-4,6-7,9-10H2,1-2H3/b11-8+,13-5-/t12-,14-,15+,16-,17-,18+,19-,21-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C/CC1,C21H32O8,pos_1_1sodium,412.209717984,NEXSBALMSXZOLS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hirtellina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
206,5586,-1,,,,0.0,MS1_match,NEXSBALMSXZOLS-MRJURFKTSA-N,"InChI=1S/C21H32O8/c1-11-4-3-5-13(6-7-14-12(2)20(26)28-15(14)8-11)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12,14-19,21-25H,3-4,6-7,9-10H2,1-2H3/b11-8+,13-5-/t12-,14-,15+,16-,17-,18+,19-,21-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C/CC1,C21H32O8,pos_1_1sodium,412.209717984,NEXSBALMSXZOLS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Staehelina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
207,5585,698,Terpenoids,Steroids,Androstane steroids,0.0,MS1_match,OCPGSVYCKLXPSO-UHFFFAOYSA-N,"InChI=1S/C22H34O4/c1-20-8-6-13(23)10-12(20)4-5-14-15(20)7-9-21(2)16(14)11-17-18(21)22(3,25)19(24)26-17/h12-18,23,25H,4-11H2,1-3H3",CC1(O)C(=O)OC2CC3C4CCC5CC(O)CCC5(C)C4CCC3(C)C21,C22H34O4,pos_1_minus1proton1iron,362.245709568,OCPGSVYCKLXPSO,Terpenoids,Steroids,Androstane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
208,5584,276,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MH,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
209,5582,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1methanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
210,5582,-1,,,,0.0,MS1_match,JLIDBLDQVAYHNE-YKALOCIXSA-N,"InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O,C15H20O4,pos_1_1proton1methanol,264.13615912,JLIDBLDQVAYHNE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum peruvianum,378975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum peruvianum'],8,0,8.0
211,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,2,8.0
212,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
213,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
214,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,2,8.0
215,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,2,8.0
216,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,OGGOZTAYPXBKCH-FFUDPDCJSA-N,"InChI=1S/C27H30O14/c1-10-20(32)21(33)23(35)26(37-10)41-25-18(9-28)40-27(24(36)22(25)34)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,OGGOZTAYPXBKCH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,2,8.0
217,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,ZKIXACXWZQFVAB-KBVHGIRNSA-N,"InChI=1S/C27H30O14/c1-36-13-6-17-20(14(29)8-16(39-17)11-2-4-12(28)5-3-11)18(7-13)40-27-25(35)23(33)22(32)19(41-27)10-38-26-24(34)21(31)15(30)9-37-26/h2-8,15,19,21-28,30-35H,9-10H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26-,27-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C27H30O14,pos_1_1proton1ethylamine,578.16355564,ZKIXACXWZQFVAB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,2,8.0
218,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,ZKIXACXWZQFVAB-KBVHGIRNSA-N,"InChI=1S/C27H30O14/c1-36-13-6-17-20(14(29)8-16(39-17)11-2-4-12(28)5-3-11)18(7-13)40-27-25(35)23(33)22(32)19(41-27)10-38-26-24(34)21(31)15(30)9-37-26/h2-8,15,19,21-28,30-35H,9-10H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26-,27-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C27H30O14,pos_1_1proton1ethylamine,578.16355564,ZKIXACXWZQFVAB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,2,8.0
219,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,2,8.0
220,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea gossypiphora,745641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea gossipiphora'],7,2,8.0
221,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,2,8.0
222,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
223,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
224,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,2,8.0
225,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,2,8.0
226,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FSUVCZVLSOYPAU-MFYRMPRMSA-N,"InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)17-8-16(30)20-15(29)6-14(7-18(20)40-17)39-25-23(33)22(32)21(31)19(41-25)9-37-26-24(34)27(35,10-28)11-38-26/h2-8,19,21-26,28-29,31-35H,9-11H2,1H3/t19-,21-,22+,23-,24+,25-,26-,27-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FSUVCZVLSOYPAU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,2,8.0
227,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,2,8.0
228,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FMTKDBAFFLJGGS-XZZDIUTQSA-N,"InChI=1S/C27H30O14/c1-10-20(32)23(35)25(41-26-24(36)22(34)21(33)18(9-28)40-26)27(37-10)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21-,22+,23+,24-,25+,26?,27?/m1/s1",C[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FMTKDBAFFLJGGS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
229,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FMTKDBAFFLJGGS-XZZDIUTQSA-N,"InChI=1S/C27H30O14/c1-10-20(32)23(35)25(41-26-24(36)22(34)21(33)18(9-28)40-26)27(37-10)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21-,22+,23+,24-,25+,26?,27?/m1/s1",C[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FMTKDBAFFLJGGS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
230,5581,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,2,8.0
231,5579,-1,,,,0.0,MS1_match,NAUNPPRXNUXMCK-FAFOYRQUSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3/b7-5-,13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,NAUNPPRXNUXMCK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0
232,5579,-1,,,,0.0,MS1_match,OYPVEICJGOKWFP-VBUKPRSYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3/b7-5-,13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
233,5579,-1,,,,0.0,MS1_match,OYPVEICJGOKWFP-UHFFFAOYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
234,5579,-1,,,,0.0,MS1_match,OYPVEICJGOKWFP-VBUKPRSYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3/b7-5-,13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
235,5579,-1,,,,0.0,MS1_match,OYPVEICJGOKWFP-UHFFFAOYSA-N,"InChI=1S/C43H76O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,36-37,40-44,47-49H,3-4,6,8-10,12,14-16,19-35H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC,C43H76O10,pos_1_1proton1acetonitrile,752.543848632,OYPVEICJGOKWFP,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
236,5579,-1,,,,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_1_1proton1ammonium,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
237,5578,1252,Alkaloids,Small peptides,Dipeptides,0.0,MS1_match,YOJQZPVUNUQTDF-UHFFFAOYSA-N,"InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3",CN1CCc2cc3c(cc2C1O)OCO3,C11H13NO3,pos_1_1proton1acetonitrile,207.089543276,YOJQZPVUNUQTDF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,1,6.5
238,5578,1252,Alkaloids,Small peptides,Dipeptides,0.0,MS1_match,YOJQZPVUNUQTDF-UHFFFAOYSA-N,"InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3",CN1CCc2cc3c(cc2C1O)OCO3,C11H13NO3,pos_1_1proton1acetonitrile,207.089543276,YOJQZPVUNUQTDF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,1,6.5
239,5578,1252,Alkaloids,Small peptides,Dipeptides,0.0,MS1_match,MNVNOIJYEHDVOO-QFIPXVFZSA-N,"InChI=1S/C22H26N2O6/c1-24(2)8-7-13-9-17-18(30-12-29-17)10-14(13)11-22(26)15-5-6-16(27-3)20(28-4)19(15)21(25)23-22/h5-6,9-10,26H,7-8,11-12H2,1-4H3,(H,23,25)/t22-/m0/s1",COc1ccc2c(c1OC)C(=O)N[C@]2(O)Cc1cc2c(cc1CCN(C)C)OCO2,C22H26N2O6,pos_2_2proton2acetonitrile,414.179086552,MNVNOIJYEHDVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis longipes,5727978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis longipes'],6,1,6.5
240,5577,-1,,,,0.5363541,ISDB,PQYWBNNJEQNUKJ-HPDGHVIKSA-N,"InChI=1S/C22H36O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h9,11,14,21H,7-8,10,12-13,15-16H2,1-6H3/b17-9+,18-14+/t21-/m1/s1",CC(=O)OC/C=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CCCC1(C)C,C22H36O2,,332.271530392,PQYWBNNJEQNUKJ,Terpenoids,Diterpenoids,Cyclophytane diterpenoids,Caulerpa brownii,523075.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Bryopsidales'],['Caulerpaceae'],['Unknown'],['Caulerpa'],['Caulerpa brownii'],1,0,3.145416498184204
241,5576,-1,,,,0.0,MS1_match,LSHJORFPRQVMOA-TUMKRPRASA-N,"InChI=1S/C25H26O14/c26-6-16-20(33)24(39-25-22(35)19(32)13(31)7-36-25)23(38-16)18-12(30)5-15-17(21(18)34)11(29)4-14(37-15)8-1-2-9(27)10(28)3-8/h1-5,13,16,19-20,22-28,30-35H,6-7H2/t13-,16-,19+,20-,22-,23-,24+,25+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C25H26O14,pos_1_1proton1methanol,550.132255512,LSHJORFPRQVMOA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sasa cernua,429794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Sasa'],['Sasa cernua'],6,0,6.0
242,5575,-1,,,,0.3890437,ISDB,DIYWRNLYKJKHAM-MDOVXXIYSA-N,"InChI=1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1",O[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2,C20H20O6,,356.1259883599999,DIYWRNLYKJKHAM,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,0,3.5561747550964355
243,5574,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XGBLAAVKNYADBQ-XBYPWPIDSA-N,"InChI=1S/C21H32O8/c1-10(19(26)27)12-4-6-21(3)7-5-14(11(2)13(21)8-12)28-20-18(25)17(24)16(23)15(9-22)29-20/h12-18,20,22-25H,1-2,4-9H2,3H3,(H,26,27)/t12-,13+,14+,15-,16-,17+,18-,20-,21+/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2C1,C21H32O8,pos_1_1sodium,412.209717984,XGBLAAVKNYADBQ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
244,5574,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NEXSBALMSXZOLS-MRJURFKTSA-N,"InChI=1S/C21H32O8/c1-11-4-3-5-13(6-7-14-12(2)20(26)28-15(14)8-11)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12,14-19,21-25H,3-4,6-7,9-10H2,1-2H3/b11-8+,13-5-/t12-,14-,15+,16-,17-,18+,19-,21-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C/CC1,C21H32O8,pos_1_1sodium,412.209717984,NEXSBALMSXZOLS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hirtellina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
245,5574,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NEXSBALMSXZOLS-MRJURFKTSA-N,"InChI=1S/C21H32O8/c1-11-4-3-5-13(6-7-14-12(2)20(26)28-15(14)8-11)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12,14-19,21-25H,3-4,6-7,9-10H2,1-2H3/b11-8+,13-5-/t12-,14-,15+,16-,17-,18+,19-,21-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C/CC1,C21H32O8,pos_1_1sodium,412.209717984,NEXSBALMSXZOLS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Staehelina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
246,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
247,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
248,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
249,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
250,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
251,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
252,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
253,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
254,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1sodium,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
255,5569,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
256,5568,-1,,,,0.0,MS1_match,TXXNCQPRWTWBRI-FZXTXVBWSA-N,"InChI=1S/C28H52O12/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t17-,19-,20+,21+,22-,23+,24-,25-,26-,27-,28+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,TXXNCQPRWTWBRI,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0
257,5568,-1,,,,0.0,MS1_match,GGRCCPGVMYMGMZ-NYSFXRRXSA-N,"InChI=1S/C28H52O12/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(30)39-26-23(35)21(33)22(34)24(36)27(26)40-28-25(37)20(32)19(31)17(15-29)38-28/h16-17,19-29,31-37H,3-15H2,1-2H3/t16-,17-,19-,20+,21+,22+,23-,24-,25-,26-,27-,28+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H52O12,pos_2_2proton2acetonitrile,580.345877104,GGRCCPGVMYMGMZ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0
258,5566,-1,,,,0.0,MS1_match,OHBOIBZOQYLSCA-ZFPHAMITSA-N,"InChI=1S/C16H22O5/c1-7-4-12(18)14-10(6-20-3)16(19)21-15(14)13-8(2)11(17)5-9(7)13/h9-15,17-18H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13-,14+,15+/m1/s1",C=C1[C@H]2[C@@H]3OC(=O)[C@H](COC)[C@H]3[C@H](O)CC(=C)[C@H]2C[C@H]1O,C16H22O5,pos_1_1proton1acetonitrile,294.146723804,OHBOIBZOQYLSCA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
259,5566,-1,,,,0.0,MS1_match,OHBOIBZOQYLSCA-ZFPHAMITSA-N,"InChI=1S/C16H22O5/c1-7-4-12(18)14-10(6-20-3)16(19)21-15(14)13-8(2)11(17)5-9(7)13/h9-15,17-18H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13-,14+,15+/m1/s1",C=C1[C@H]2[C@@H]3OC(=O)[C@H](COC)[C@H]3[C@H](O)CC(=C)[C@H]2C[C@H]1O,C16H22O5,pos_1_1proton1acetonitrile,294.146723804,OHBOIBZOQYLSCA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
260,5566,-1,,,,0.0,MS1_match,ZYEUWDVPMGDEQL-DIPLVCCSSA-N,"InChI=1S/C18H22O5/c1-11-7-5-4-6-8-14-16(13(3)18(21)22-14)15(9-11)23-17(20)12(2)10-19/h6-8,14-16,19H,2-5,9-10H2,1H3/b8-6-,11-7+/t14-,15+,16+/m1/s1",C=C(CO)C(=O)O[C@H]1C/C(C)=C/CC/C=C\[C@H]2OC(=O)C(=C)[C@H]12,C18H22O5,pos_1_1proton1ammonium,318.146723804,ZYEUWDVPMGDEQL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,0,7.0
261,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OSWPMRLSEDHDFF-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3",COC(=O)c1ccccc1O,C8H8O3,pos_2MHCH3CN,152.047344116,OSWPMRLSEDHDFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
262,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_2MHNH3,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
263,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_2MHCH3CN,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
264,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MWOOGOJBHIARFG-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3",COc1cc(C=O)ccc1O,C8H8O3,pos_2MHCH3CN,152.047344116,MWOOGOJBHIARFG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5
265,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_2MHNH3,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
266,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KKSDGJDHHZEWEP-SNAWJCMRSA-N,"InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+",O=C(O)/C=C/c1cccc(O)c1,C9H8O3,pos_2MHNH3,164.047344116,KKSDGJDHHZEWEP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
267,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MHNH3,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,9.5
268,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MHNH3,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,3,9.5
269,5565,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MHNH3,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5
270,5564,148,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.4582237,ISDB,NJLNIOKPXKKALD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3",C=C(C)C1C=CC(C)=CC1,C10H14,,134.109550448,NJLNIOKPXKKALD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.332894802093506
271,5563,42,Amino acids and Peptides,Tryptophan alkaloids,Pyridine alkaloids,0.0,MS1_match,IIXFXMGADSMCLR-NSHDSACASA-N,"InChI=1S/C11H12N2O/c14-9-13-7-2-1-5-11(13)10-4-3-6-12-8-10/h1-4,6,8-9,11H,5,7H2/t11-/m0/s1",O=CN1CC=CC[C@H]1c1cccnc1,C11H12N2O,pos_1_minus1proton2potassium,188.094963004,IIXFXMGADSMCLR,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5
272,5560,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,BRVXVMOWTHQKHC-HIAHFQITSA-N,"InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+",CC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C,C33H44O9,pos_1_1proton1ammonium,584.2985329879998,BRVXVMOWTHQKHC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,8.5
273,5559,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2972443,ISDB,WKDBZTLJGGVOGW-VDZAXMOLSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32?/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CCC23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Pseudocnus koellikeri,3652909.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Pseudocnus'],['Pseudocnus koellikeri'],2,3,4.688977241516113
274,5559,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2972443,ISDB,WKDBZTLJGGVOGW-WDPAYILQSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cucumaria frondosa,478655.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Cucumaria'],['Cucumaria frondosa'],2,3,4.688977241516113
275,5557,368,Alkaloids,,,0.0,MS1_match,WCUYNFHBYFOUKI-UTGHZIEOSA-N,"InChI=1S/C30H54O13/c1-5-6-7-8-9-10-11-12-13-14-23(34)41-27-26(38-17-19(2)3)24(35)21(15-31)40-29(27)43-30(18-39-20(4)33)28(37)25(36)22(16-32)42-30/h19,21-22,24-29,31-32,35-37H,5-18H2,1-4H3/t21-,22-,24-,25-,26+,27-,28+,29-,30+/m1/s1",CCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OCC(C)C,C30H54O13,pos_2_1magnesium,622.3564417879999,WCUYNFHBYFOUKI,,,,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,0,6.0
276,5556,-1,,,,0.0,MS1_match,XCAKPWXDUSEAEH-CLGLNXEMSA-N,"InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO2,pos_1_1proton,411.313729552,XCAKPWXDUSEAEH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,0,8.0
277,5556,-1,,,,0.0,MS1_match,XCAKPWXDUSEAEH-CLGLNXEMSA-N,"InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO2,pos_1_1proton,411.313729552,XCAKPWXDUSEAEH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum procumbens,373150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum procumbens'],8,0,8.0
278,5552,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBOIBZOQYLSCA-ZFPHAMITSA-N,"InChI=1S/C16H22O5/c1-7-4-12(18)14-10(6-20-3)16(19)21-15(14)13-8(2)11(17)5-9(7)13/h9-15,17-18H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13-,14+,15+/m1/s1",C=C1[C@H]2[C@@H]3OC(=O)[C@H](COC)[C@H]3[C@H](O)CC(=C)[C@H]2C[C@H]1O,C16H22O5,pos_1_1proton1ammonium,294.146723804,OHBOIBZOQYLSCA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
279,5552,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBOIBZOQYLSCA-ZFPHAMITSA-N,"InChI=1S/C16H22O5/c1-7-4-12(18)14-10(6-20-3)16(19)21-15(14)13-8(2)11(17)5-9(7)13/h9-15,17-18H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13-,14+,15+/m1/s1",C=C1[C@H]2[C@@H]3OC(=O)[C@H](COC)[C@H]3[C@H](O)CC(=C)[C@H]2C[C@H]1O,C16H22O5,pos_1_1proton1ammonium,294.146723804,OHBOIBZOQYLSCA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
280,5551,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.43897098,ISDB,ZMQPULSGBXIVGC-SECBINFHSA-N,"InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3/t9-/m1/s1",COc1cc2c(cc1[C@@H](C)O)C=CC(C)(C)O2,C14H18O3,,234.125594436,ZMQPULSGBXIVGC,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina pichinchensis,5739731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina pichinchensis'],4,3,7.2558839321136475
281,5551,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.43897098,ISDB,ZMQPULSGBXIVGC-UHFFFAOYSA-N,"InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3",COc1cc2c(cc1C(C)O)C=CC(C)(C)O2,C14H18O3,,234.125594436,ZMQPULSGBXIVGC,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina glechonophylla,1007561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina glechonophylla'],4,3,7.2558839321136475
282,5551,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.43897098,ISDB,ZMQPULSGBXIVGC-SECBINFHSA-N,"InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3/t9-/m1/s1",COc1cc2c(cc1[C@@H](C)O)C=CC(C)(C)O2,C14H18O3,,234.125594436,ZMQPULSGBXIVGC,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratum conyzoides,885278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratum'],['Ageratum conyzoides'],4,3,7.2558839321136475
283,5551,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.43897098,ISDB,ZMQPULSGBXIVGC-SECBINFHSA-N,"InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3/t9-/m1/s1",COc1cc2c(cc1[C@@H](C)O)C=CC(C)(C)O2,C14H18O3,,234.125594436,ZMQPULSGBXIVGC,Terpenoids,Meroterpenoids,Merohemiterpenoids,Calea morii,7606916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea morii'],4,3,7.2558839321136475
284,5551,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.43897098,ISDB,ZMQPULSGBXIVGC-VIFPVBQESA-N,"InChI=1S/C14H18O3/c1-9(15)11-7-10-5-6-14(2,3)17-12(10)8-13(11)16-4/h5-9,15H,1-4H3/t9-/m0/s1",COc1cc2c(cc1[C@H](C)O)C=CC(C)(C)O2,C14H18O3,,234.125594436,ZMQPULSGBXIVGC,Terpenoids,Meroterpenoids,Merohemiterpenoids,Centromadia fitchii,3899669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Centromadia'],['Centromadia fitchii'],4,3,7.2558839321136475
285,5550,-1,,,,0.23359282,ISDB,OSTSXXLGJSGZGX-VTDUFRGJSA-N,"InChI=1S/C32H50O6/c1-18(2)10-9-11-21(29(36)37-8)27-23-16-25(35)28-30(5)14-13-24(34)19(3)22(30)12-15-31(28,6)32(23,7)17-26(27)38-20(4)33/h10,19,22-26,28,34-35H,9,11-17H2,1-8H3/b27-21-/t19-,22-,23-,24+,25+,26-,28-,30-,31-,32-/m0/s1",COC(=O)/C(CCC=C(C)C)=C1\[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C,C32H50O6,,530.36073932,OSTSXXLGJSGZGX,Terpenoids,Triterpenoids,Fusidane triterpenoids,Ramularia coccinea,432869.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Capnodiales'],['Mycosphaerellaceae'],['Unknown'],['Ramularia'],['Ramularia coccinea'],1,0,1.934371292591095
286,5549,273,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5
287,5549,273,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5
288,5548,462,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,pos_1_1potassium,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
289,5546,953,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.0,MS1_match,AYXPYQRXGNDJFU-AOWZIMASSA-N,"InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C,C15H26O,pos_1_1proton1acetonitrile,222.198365452,AYXPYQRXGNDJFU,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
290,5544,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
291,5544,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
292,5544,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
293,5544,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1ammonium,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
294,5543,-1,,,,0.0,MS1_match,WHFRGAGFFDXGCA-IZYCEXTPSA-N,"InChI=1S/C28H35NO5/c1-18-24-22(17-19-11-7-6-8-12-19)29-26(32)28(24)21(25-27(18,2)34-25)14-10-5-3-4-9-13-20(30)15-16-23(31)33-28/h6-8,10-12,14-16,18,20-22,24-25,30H,3-5,9,13,17H2,1-2H3,(H,29,32)/b14-10+,16-15+/t18-,20+,21-,22-,24-,25-,27+,28+/m0/s1",C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCCCC/C=C/[C@H]3[C@@H]2O[C@]12C,C28H35NO5,pos_2MFe,465.25152322,WHFRGAGFFDXGCA,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,0,7.0
295,5541,28,Shikimates and Phenylpropanoids,Cyclic polyketides,Furans,0.3644275,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.957710027694702
296,5538,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.36811578,ISDB,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,7.972463130950928
297,5538,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.36811578,ISDB,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,7.972463130950928
298,5537,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
299,5537,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
300,5536,164,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7623453,ISDB,QRGXNNLNKJPFIX-LBPRGKRZSA-N,"InChI=1S/C12H16O3/c1-9-4-6-11(7-5-9)12(3,14)8-15-10(2)13/h4-7,14H,8H2,1-3H3/t12-/m0/s1",CC(=O)OC[C@](C)(O)c1ccc(C)cc1,C12H16O3,,208.109944372,QRGXNNLNKJPFIX,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Haplopappus remyanus,7599243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus remyanus'],6,0,9.049381256103516
301,5535,276,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MH,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
302,5534,867,Terpenoids,Sesquiterpenoids,Oxo fatty acids,0.32400364,ISDB,UXYFUYRKYUHZOH-BRKJJSFFSA-N,"InChI=1S/C18H30O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14,16,19H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+/t16-/m1/s1",CCCCCC[C@@H](O)/C=C/C=C/C(=O)CCCCCC(=O)O,C18H30O4,,310.21440944,UXYFUYRKYUHZOH,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Pleurocybella porrigens,388480.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Marasmiaceae'],['Unknown'],['Pleurocybella'],['Pleurocybella porrigens'],1,3,3.7960145473480225
303,5531,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7407648,ISDB,,,,,,,YYQVCMMXPIJVHY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.963059186935425
304,5527,-1,,,,0.0,MS1_match,LXZQSRKEZKPRBC-YWQDSBAJSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)43)37(45)35-19-57-41(23-13-31(51-3)39(47)32(14-23)52-4)25(17-55-35)26-18-56-36(38(46)22-8-10-28(44)30(12-22)50-2)20-58-42(26)24-15-33(53-5)40(48)34(16-24)54-6/h7-16,25-26,35-38,41-48H,17-20H2,1-6H3/t25-,26+,35-,36+,37+,38-,41-,42-/m1/s1",COc1cc([C@@H](O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]([C@H]3CO[C@@H]([C@@H](O)c4ccc(O)c(OC)c4)CO[C@@H]3c3cc(OC)c(O)c(OC)c3)CO2)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.30988552,LXZQSRKEZKPRBC,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
305,5527,-1,,,,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
306,5527,-1,,,,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
307,5527,-1,,,,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
308,5527,-1,,,,0.0,MS1_match,NQKMDFWGODIBLN-PJYBPCBOSA-N,"InChI=1S/C42H50O16/c1-49-29-12-21(10-11-27(29)45)36(47)34(17-43)57-41-30(50-2)13-22(14-31(41)51-3)38-25-19-56-39(26(25)20-55-38)23-15-32(52-4)42(33(16-23)53-5)58-35(18-44)37(48)24-8-7-9-28(46)40(24)54-6/h7-16,25-26,34-39,43-48H,17-20H2,1-6H3/t25-,26-,34+,35+,36+,37-,38+,39+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@H](O)c4cccc(O)c4OC)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200001,NQKMDFWGODIBLN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
309,5526,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,BTUZVFURXAOVBC-HQHBRHBDSA-N,"InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3/t10-,11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CCC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H30O7,pos_1_1proton1acetonitrile,334.1991533,BTUZVFURXAOVBC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Conyza bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],6,3,7.5
310,5526,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,BTUZVFURXAOVBC-UHFFFAOYSA-N,"InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3",C=CC(C)(O)CCCC(C)COC1OC(CO)C(O)C(O)C1O,C16H30O7,pos_1_1proton1acetonitrile,334.1991533,BTUZVFURXAOVBC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Symphyotrichum subulatum,965961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Symphyotrichum'],['Symphyotrichum subulatum'],6,3,7.5
311,5526,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,BTUZVFURXAOVBC-HQHBRHBDSA-N,"InChI=1S/C16H30O7/c1-4-16(3,21)7-5-6-10(2)9-22-15-14(20)13(19)12(18)11(8-17)23-15/h4,10-15,17-21H,1,5-9H2,2-3H3/t10-,11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@@](C)(O)CCC[C@@H](C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H30O7,pos_1_1proton1acetonitrile,334.1991533,BTUZVFURXAOVBC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Erigeron bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],6,3,7.5
312,5526,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,YJKBEUJODTUMTC-ILOZKWPNSA-N,"InChI=1S/C22H36O3/c1-8-22(7,24)14-10-13-19(5)16-21(25-20(6)23)15-18(4)12-9-11-17(2)3/h8,11,13,15,21,24H,1,9-10,12,14,16H2,2-7H3/b18-15+,19-13+/t21-,22-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)C[C@@H](/C=C(\C)CCC=C(C)C)OC(C)=O,C22H36O3,pos_2MFe,348.266445012,YJKBEUJODTUMTC,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Geigeria burkei,5794232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Geigeria'],['Geigeria burkei'],6,3,7.5
313,5526,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NEJSKGWZNDCYKZ-CQDIZAHCSA-N,"InChI=1S/C22H36O3/c1-8-22(7,24)14-10-13-18(4)11-9-12-19(5)16-21(15-17(2)3)25-20(6)23/h8,12-13,15,21,24H,1,9-11,14,16H2,2-7H3/b18-13+,19-12+/t21-,22+/m0/s1",C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)C[C@H](C=C(C)C)OC(C)=O,C22H36O3,pos_2MFe,348.266445012,NEJSKGWZNDCYKZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Geigeria burkei,5794232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Geigeria'],['Geigeria burkei'],6,3,7.5
314,5526,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NEJSKGWZNDCYKZ-CEPQFUOISA-N,"InChI=1S/C22H36O3/c1-8-22(7,24)14-10-13-18(4)11-9-12-19(5)16-21(15-17(2)3)25-20(6)23/h8,12-13,15,21,24H,1,9-11,14,16H2,2-7H3/b18-13+,19-12+/t21-,22-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O,C22H36O3,pos_2MFe,348.266445012,NEJSKGWZNDCYKZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Linzia glabra,179856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Linzia'],['Linzia glabra'],6,3,7.5
315,5526,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NEJSKGWZNDCYKZ-UHFFFAOYSA-N,"InChI=1S/C22H36O3/c1-8-22(7,24)14-10-13-18(4)11-9-12-19(5)16-21(15-17(2)3)25-20(6)23/h8,12-13,15,21,24H,1,9-11,14,16H2,2-7H3",C=CC(C)(O)CCC=C(C)CCC=C(C)CC(C=C(C)C)OC(C)=O,C22H36O3,pos_2MFe,348.266445012,NEJSKGWZNDCYKZ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Linzia rosenii,7622573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Linzia'],['Linzia rosenii'],6,3,7.5
316,5524,-1,,,,0.0,MS1_match,NOPDNDHQMGCGJR-CLDAMYHWSA-N,"InChI=1S/C30H50O4/c1-17-18(2)25-19-9-10-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,7)30(19,8)16-24(32)28(25,6)15-20(17)34-33/h18-25,31-33H,1,9-16H2,2-8H3/t18-,19-,20-,21+,22-,23+,24+,25-,27+,28-,29-,30-/m1/s1",C=C1[C@@H](C)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@H]1OO,C30H50O4,pos_1_1proton1isopropanol,474.37091008,NOPDNDHQMGCGJR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],6,0,6.0
317,5524,-1,,,,0.0,MS1_match,USNYNNITUQSEEV-UHFFFAOYSA-N,"InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C32H54O4,pos_1_1proton1methanol,502.4022102079999,USNYNNITUQSEEV,,,,Ligularia nelumbifolia,896803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nelumbifolia'],6,0,6.0
318,5524,-1,,,,0.0,MS1_match,TUZPJVKGJOMBFR-BCKCWPCYSA-N,"InChI=1S/C30H50O4/c1-25(2)20-11-14-29(7)21(27(20,5)13-12-22(25)31)9-8-19-23-18(26(3,4)34)10-15-30(23,24(32)33)17-16-28(19,29)6/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,23-,27+,28-,29-,30+/m1/s1",CC(C)(O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O4,pos_1_1proton1isopropanol,474.37091008,TUZPJVKGJOMBFR,Terpenoids,Triterpenoids,Lupane triterpenoids,Oedera calycina,7601641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Oedera'],['Oedera calycina'],6,0,6.0
319,5524,-1,,,,0.0,MS1_match,UBNJQWYYWIBSGN-ZNTNEXAZSA-N,"InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)24-22-27-21-23-28(31)29(26-27)33-2/h21-24,26,31H,3-20,25H2,1-2H3/b24-22+",CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1,C30H50O4,pos_1_1proton1isopropanol,474.37091007999993,UBNJQWYYWIBSGN,,,,Tripolium pannonicum,989947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Tripolium'],['Tripolium pannonicum'],6,0,6.0
320,5524,-1,,,,0.0,MS1_match,UBNJQWYYWIBSGN-ZNTNEXAZSA-N,"InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)24-22-27-21-23-28(31)29(26-27)33-2/h21-24,26,31H,3-20,25H2,1-2H3/b24-22+",CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1,C30H50O4,pos_1_1proton1isopropanol,474.37091007999993,UBNJQWYYWIBSGN,,,,Tripolium vulgare,397481.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Tripolium'],['Tripolium vulgare'],6,0,6.0
321,5524,-1,,,,0.0,MS1_match,UBNJQWYYWIBSGN-ZNTNEXAZSA-N,"InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)24-22-27-21-23-28(31)29(26-27)33-2/h21-24,26,31H,3-20,25H2,1-2H3/b24-22+",CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1,C30H50O4,pos_1_1proton1isopropanol,474.37091007999993,UBNJQWYYWIBSGN,,,,Baccharis venosa,5794723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis genistelloides'],6,0,6.0
322,5524,-1,,,,0.0,MS1_match,ASKGIBDPFYQTPN-NDCRZBHUSA-N,"InChI=1S/C30H50O4/c1-19(9-12-24-32-26(4,5)34-33-24)20-13-15-28(7)22-11-10-21-25(2,3)23-14-16-30(21,31-23)29(22,8)18-17-27(20,28)6/h19-24H,9-18H2,1-8H3/t19-,20+,21+,22-,23+,24+,27+,28-,29-,30-/m0/s1",C[C@@H](CC[C@H]1OOC(C)(C)O1)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)[C@H]5CC[C@@]4(O5)[C@@]3(C)CC[C@]12C,C30H50O4,pos_1_1proton1isopropanol,474.37091008,ASKGIBDPFYQTPN,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Senecio selloi,42140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio selloi'],6,0,6.0
323,5524,-1,,,,0.0,MS1_match,USNYNNITUQSEEV-UHFFFAOYSA-N,"InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3",CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=Cc1ccc(O)c(OC)c1,C32H54O4,pos_1_1proton1methanol,502.4022102079999,USNYNNITUQSEEV,,,,Ligularia nelumbifolia,896803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nelumbifolia'],6,0,6.0
324,5524,-1,,,,0.0,MS1_match,UBNJQWYYWIBSGN-ZNTNEXAZSA-N,"InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)24-22-27-21-23-28(31)29(26-27)33-2/h21-24,26,31H,3-20,25H2,1-2H3/b24-22+",CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1,C30H50O4,pos_1_1proton1isopropanol,474.37091007999993,UBNJQWYYWIBSGN,,,,Baccharis genistelloides,5794723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis genistelloides'],6,0,6.0
325,5524,-1,,,,0.0,MS1_match,TUZPJVKGJOMBFR-BCKCWPCYSA-N,"InChI=1S/C30H50O4/c1-25(2)20-11-14-29(7)21(27(20,5)13-12-22(25)31)9-8-19-23-18(26(3,4)34)10-15-30(23,24(32)33)17-16-28(19,29)6/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19-,20+,21-,22+,23-,27+,28-,29-,30+/m1/s1",CC(C)(O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H50O4,pos_1_1proton1isopropanol,474.37091008,TUZPJVKGJOMBFR,Terpenoids,Triterpenoids,Lupane triterpenoids,Relhania calycina,954214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Relhania'],['Relhania calycina'],6,0,6.0
326,5524,-1,,,,0.0,MS1_match,UBNJQWYYWIBSGN-ZNTNEXAZSA-N,"InChI=1S/C30H50O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-34-30(32)24-22-27-21-23-28(31)29(26-27)33-2/h21-24,26,31H,3-20,25H2,1-2H3/b24-22+",CCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc(O)c(OC)c1,C30H50O4,pos_1_1proton1isopropanol,474.37091007999993,UBNJQWYYWIBSGN,,,,Baccharis gaudichaudiana,7599949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis gaudichaudiana'],6,0,6.0
327,5524,-1,,,,0.0,MS1_match,AHOBTXNYSMZYDP-PQGMSXKISA-N,"InChI=1S/C30H50O4/c1-18(8-11-23(33)26(4,5)34)24-19(31)16-28(7)21-10-9-20-25(2,3)22(32)12-13-29(20)17-30(21,29)15-14-27(24,28)6/h18-21,23-24,31,33-34H,8-17H2,1-7H3/t18-,19-,20+,21-,23+,24-,27+,28-,29+,30-/m0/s1",C[C@@H](CC[C@@H](O)C(C)(C)O)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C,C30H50O4,pos_1_1proton1isopropanol,474.37091008,AHOBTXNYSMZYDP,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],6,0,6.0
328,5524,-1,,,,0.0,MS1_match,VNFGCZMDJKHZSB-TWHQWURBSA-N,"InChI=1S/C30H50O4/c1-25(2)13-18-17-9-10-21-28(6)14-19(31)24(34)26(3,4)20(28)11-12-29(21,7)30(17,8)23(33)16-27(18,5)15-22(25)32/h9,18-24,31-34H,10-16H2,1-8H3/t18-,19-,20-,21+,22-,23-,24-,27+,28-,29+,30-/m0/s1",CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)C[C@@]2(C)C[C@@H]1O,C30H50O4,pos_1_1proton1isopropanol,474.37091008,VNFGCZMDJKHZSB,Terpenoids,Triterpenoids,Oleanane triterpenoids,Leontodon filii,412146.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Leontodon'],['Leontodon filii'],6,0,6.0
329,5523,1179,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.8555002,ISDB,FFEARJCKVFRZRR-UHFFFAOYSA-N,"InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)",CSCCC(N)C(=O)O,C5H11NO2S,,149.051049592,FFEARJCKVFRZRR,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,8.922000885009766
330,5522,824,Terpenoids,Sesquiterpenoids,Serrulatane and Biflorane diterpenoids,0.7285299,ISDB,,,,,,,VFENFLGNSRQELY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9141194820404053
331,5521,-1,,,,0.0,MS1_match,OLARKEMZPWGFJU-SFHVURJKSA-N,"InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3/t18-/m0/s1",Cc1ccc([C@]2(COC(=O)C(C)C)CO2)c(OC(=O)C(C)C)c1,C18H24O5,pos_1_1proton1acetonitrile,320.162373868,OLARKEMZPWGFJU,Polyketides,,,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
332,5521,-1,,,,0.0,MS1_match,SDRJABGPZHYDOV-FPEITNRTSA-N,"InChI=1S/C20H24O5/c1-6-9(2)19(22)24-15-7-10(3)13-8-14(21)11(4)16(13)18-17(15)12(5)20(23)25-18/h6,13-18,21H,3-5,7-8H2,1-2H3/b9-6+/t13-,14-,15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12,C20H24O5,pos_1_1proton1ammonium,344.162373868,SDRJABGPZHYDOV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
333,5521,-1,,,,0.0,MS1_match,UINWHHMWCJPCDZ-FPEITNRTSA-N,"InChI=1S/C20H24O5/c1-6-9(2)19(22)24-15-8-13-10(3)7-14(21)17-12(5)20(23)25-18(17)16(13)11(15)4/h6,13-18,21H,3-5,7-8H2,1-2H3/b9-6+/t13-,14-,15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)/C(C)=C/C)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C20H24O5,pos_1_1proton1ammonium,344.162373868,UINWHHMWCJPCDZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
334,5521,-1,,,,0.0,MS1_match,HLYLWDFVDOTKOB-SNZHEZPKSA-N,"InChI=1S/C18H24O5/c1-7-10-6-11(19)8(2)12(10)15-13(9(3)17(20)21-15)16-14(7)22-18(4,5)23-16/h8-10,12-16H,1,6H2,2-5H3/t8-,9+,10+,12+,13?,14+,15-,16-/m1/s1",C=C1[C@@H]2CC(=O)[C@@H](C)[C@@H]2[C@H]2OC(=O)[C@@H](C)C2[C@H]2OC(C)(C)O[C@@H]12,C18H24O5,pos_1_1proton1acetonitrile,320.162373868,HLYLWDFVDOTKOB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
335,5521,-1,,,,0.0,MS1_match,CHYUZAHSJKXOLU-DPIPWCILSA-N,"InChI=1S/C18H24O5/c1-11-7-5-4-6-8-14-16(13(3)18(21)22-14)15(9-11)23-17(20)12(2)10-19/h6-8,13-16,19H,2,4-5,9-10H2,1,3H3/b8-6-,11-7+/t13-,14-,15-,16-/m0/s1",C=C(CO)C(=O)O[C@H]1C/C(C)=C/CC/C=C\[C@@H]2OC(=O)[C@@H](C)[C@@H]21,C18H24O5,pos_1_1proton1acetonitrile,320.162373868,CHYUZAHSJKXOLU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,0,7.0
336,5520,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.7314527,ISDB,DZZUDKWCIAKSGQ-NKZPBKNFSA-N,"InChI=1S/C15H20O3/c1-9-4-6-14-7-5-11(16)15(9,14)10(12(17)18)8-13(14,2)3/h8-9H,4-7H2,1-3H3,(H,17,18)/t9-,14+,15+/m1/s1",C[C@@H]1CC[C@@]23CCC(=O)[C@@]12C(C(=O)O)=CC3(C)C,C15H20O3,,248.1412445,DZZUDKWCIAKSGQ,Terpenoids,Sesquiterpenoids,Acorane sesquiterpenoids,Pulicaria paludosa,238454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria paludosa'],4,2,7.925810813903809
337,5518,-1,,,,0.0,MS1_match,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,pos_2MMg,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
338,5517,158,Polyketides,Naphthalenes,Flavanones,0.41879144,ISDB,MBGNZLGXZSBWOJ-IBGZPJMESA-N,"InChI=1S/C20H20O2/c1-14(2)11-12-16-9-6-10-17-18(21)13-19(22-20(16)17)15-7-4-3-5-8-15/h3-11,19H,12-13H2,1-2H3/t19-/m0/s1",CC(C)=CCc1cccc2c1O[C@H](c1ccccc1)CC2=O,C20H20O2,,292.14632988,MBGNZLGXZSBWOJ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Phyllanthus niruri,399363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus niruri'],4,3,7.175165772438049
339,5514,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.46863237,ISDB,QXPNCCVBNLAVEG-SFTDATJTSA-N,"InChI=1S/C21H21NO6/c1-22-6-5-12-7-16-17(26-10-25-16)8-14(12)21(22)9-13-3-4-15-19(27-11-24-15)18(13)20(23-2)28-21/h3-4,7-8,20H,5-6,9-11H2,1-2H3/t20-,21-/m0/s1",CO[C@H]1O[C@@]2(Cc3ccc4c(c31)OCO4)c1cc3c(cc1CCN2C)OCO3,C21H21NO6,,383.136887392,QXPNCCVBNLAVEG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,9.374529480934143
340,5513,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,NOUPGAROBAQRCH-GBVDNNOPSA-N,"InChI=1S/C24H42O21/c25-1-6-10(28)20(38)43-21(11(6)29)40-5-24(19(37)14(32)8(3-27)44-24)45-23-18(36)16(34)13(31)9(42-23)4-39-22-17(35)15(33)12(30)7(2-26)41-22/h6-23,25-38H,1-5H2/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,19-,20-,21-,22-,23+,24-/m0/s1",OC[C@H]1[C@@H](O)[C@@H](O)O[C@H](OC[C@@]2(O[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O,C24H42O21,pos_2_1magnesium,666.221858364,NOUPGAROBAQRCH,Carbohydrates,Saccharides,Disaccharides,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
341,5509,804,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
342,5509,804,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,MXCOJKLBLFWFNI-CXXOJBQZSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O4,pos_1_minus1proton2sodium,330.18310931199994,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
343,5508,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.6551017,ISDB,WMJZOGJRZGOXKE-POHAHGRESA-N,"InChI=1S/C15H18O2/c1-9-5-4-6-10(2)15(17)13-7-11(3)14(16)8-12(9)13/h6-9,16H,4-5H2,1-3H3/b10-6-",C/C1=C/CCC(C)c2cc(O)c(C)cc2C1=O,C15H18O2,,230.130679816,WMJZOGJRZGOXKE,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acourtia turbinata,267482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Acourtia'],['Acourtia turbinata'],4,2,7.620406866073608
344,5507,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,FANQOGXJPSTBOB-PJRLNDEMSA-N,"InChI=1S/C28H36O6/c1-18(14-24(29)30)12-13-27(2)20(17-33-25(31)15-19-8-5-4-6-9-19)16-23-28(3)21(26(32)34-23)10-7-11-22(27)28/h4-6,8-10,18,20,22-23H,7,11-17H2,1-3H3,(H,29,30)/t18-,20+,22-,23+,27+,28+/m1/s1",C[C@H](CC[C@@]1(C)[C@H](COC(=O)Cc2ccccc2)C[C@@H]2OC(=O)C3=CCC[C@H]1[C@]32C)CC(=O)O,C28H36O6,pos_2MMg,468.2511888719999,FANQOGXJPSTBOB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Moquiniastrum paniculatum,5784865.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Moquiniastrum'],['Moquiniastrum paniculatum'],6,3,7.5
345,5506,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
346,5506,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ammonium,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
347,5506,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
348,5506,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ammonium,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
349,5505,74,Amino acids and Peptides,Small peptides,Aminoacids,0.70827293,ISDB,SEWIYICDCVPBEW-UHFFFAOYSA-N,"InChI=1S/C6H11NO4/c1-11-6(10)4(7)2-3-5(8)9/h4H,2-3,7H2,1H3,(H,8,9)",COC(=O)C(N)CCC(=O)O,C6H11NO4,,161.068807832,SEWIYICDCVPBEW,Amino acids and Peptides,Small peptides,Aminoacids,Mus musculus,542509.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Rodentia'],['Muridae'],['Unknown'],['Mus'],['Mus musculus'],2,3,6.333091735839844
350,5502,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_2_2proton1ammonium,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
351,5500,-1,,,,0.36033607,ISDB,FPPNZSSZRUTDAP-UWFZAAFLSA-N,"InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1",CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O,C17H18N2O6S,,378.0885572959999,FPPNZSSZRUTDAP,Amino acids and Peptides,β-lactams,Penicillins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.441344261169434
352,5499,34,Fatty acids,Glycerophospholipids,Glycerophosphates,0.7156031,ISDB,DVNZKWQUAXJYGB-UHFFFAOYSA-N,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O,C21H37O7P,,432.2276901539999,DVNZKWQUAXJYGB,Fatty acids,Glycerophospholipids,Glycerophosphates,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.362412452697754
353,5497,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.20618635,ISDB,JQQLGYJOHJVUFP-TUCVVBAFSA-N,"InChI=1S/C32H48O4/c1-20(2)13-14-24(34)21(3)11-10-12-22(4)29-25(35)19-27-31(8)18-16-28(36-23(5)33)30(6,7)26(31)15-17-32(27,29)9/h10-13,24,26-28,34H,14-19H2,1-9H3/b12-10+,21-11+,29-22-/t24-,26-,27-,28-,31-,32-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)\C=C\C=C(/C)[C@@H](O)CC=C(C)C)C(=O)C[C@@H]23)C1(C)C,C32H48O4,,496.355260016,JQQLGYJOHJVUFP,Terpenoids,Triterpenoids,Malabaricane triterpenoids,Jaspis stellifera,2841117.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Jaspis'],['Jaspis stellifera'],2,2,3.8247454166412354
354,5497,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.20618635,ISDB,JQQLGYJOHJVUFP-SOBFQGAKSA-N,"InChI=1S/C32H48O4/c1-20(2)13-14-24(34)21(3)11-10-12-22(4)29-25(35)19-27-31(8)18-16-28(36-23(5)33)30(6,7)26(31)15-17-32(27,29)9/h10-13,24,26-28,34H,14-19H2,1-9H3/b12-10+,21-11+,29-22+/t24-,26-,27-,28-,31-,32-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)/C=C/C=C(\C)[C@@H](O)CC=C(C)C)C(=O)C[C@@H]23)C1(C)C,C32H48O4,,496.35526001599993,JQQLGYJOHJVUFP,Terpenoids,Triterpenoids,Malabaricane triterpenoids,Rhabdastrella globostellata,583165.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Rhabdastrella'],['Rhabdastrella globostellata'],2,2,3.8247454166412354
355,5492,810,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5654136,ISDB,XEVQXKKKAVVSMW-WRWORJQWSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1",CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12,C11H16O3,,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Sinularia capillosa,3679329.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia capillosa'],2,3,5.761654376983643
356,5491,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.5291115,ISDB,SQMNYUXJPOVWBB-FCDQGJHFSA-N,"InChI=1S/C27H39N3O/c1-21(2)13-10-8-6-4-5-7-9-11-14-22-16-17-23(29-22)19-26-27(31-3)20-25(30-26)24-15-12-18-28-24/h12,15-21,28,30H,4-11,13-14H2,1-3H3/b23-19+",COc1cc(-c2ccc[nH]2)[nH]c1/C=C1\C=CC(CCCCCCCCCCC(C)C)=N1,C27H39N3O,,421.309312868,SQMNYUXJPOVWBB,Alkaloids,Proline alkaloids,Prodigiosins,Streptomyces griseoviridis,146055.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces griseoviridis'],0,0,2.116446018218994
357,5490,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,AVQIAPJJWFUCIT-VOTSOKGWSA-N,"InChI=1S/C13H18O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,9H,4-5,8H2,1-3H3/b7-6+",CC1=C(/C=C/C(=O)C=O)C(C)(C)CCC1,C13H18O2,pos_2MCH3CNNa,206.130679816,AVQIAPJJWFUCIT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca rubra,202297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca rubra'],6,0,6.0
358,5490,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,AVQIAPJJWFUCIT-VOTSOKGWSA-N,"InChI=1S/C13H18O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,9H,4-5,8H2,1-3H3/b7-6+",CC1=C(/C=C/C(=O)C=O)C(C)(C)CCC1,C13H18O2,pos_2MCH3CNNa,206.130679816,AVQIAPJJWFUCIT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca arundinacea,105576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca arundinacea'],6,0,6.0
359,5490,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,PYTPAVWXFBRPAE-JBBVZSLPSA-N,"InChI=1S/C25H43NO5/c1-16-17(14-21(28)31-13-12-26(4)5)8-9-18-22(16)19(27)15-20-24(18,2)10-7-11-25(20,3)23(29)30-6/h16-20,22,27H,7-15H2,1-6H3/t16-,17-,18+,19-,20+,22+,24+,25-/m0/s1",COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]3CC[C@@H](CC(=O)OCCN(C)C)[C@H](C)[C@H]3[C@@H](O)C[C@H]21,C25H43NO5,pos_1_1potassium,437.314123476,PYTPAVWXFBRPAE,Terpenoids,Diterpenoids,Cassane diterpenoids,Cenchrus americanus,1079449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Cenchrus'],['Cenchrus americanus'],6,0,6.0
360,5489,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.70844615,ISDB,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,3,11.333784580230713
361,5489,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.70844615,ISDB,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,11.333784580230713
362,5489,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.70844615,ISDB,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,11.333784580230713
363,5489,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.70844615,ISDB,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,11.333784580230713
364,5488,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HRAXJWRHSUTMCS-UHFFFAOYSA-N,"InChI=1S/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3",C=CCc1cc(OC)c(OC)c(OC)c1OC,C13H18O4,pos_1_1proton1acetonitrile,238.120509056,HRAXJWRHSUTMCS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
365,5487,-1,,,,0.60732126,ISDB,LHQIJBMDNUYRAM-UHFFFAOYSA-N,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)",CC(O)C(O)c1cnc2[nH]c(=N)nc(O)c2n1,C9H11N5O3,,237.086189212,LHQIJBMDNUYRAM,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],2,0,4.429285049438477
366,5487,-1,,,,0.60732126,ISDB,LHQIJBMDNUYRAM-AWFVSMACSA-N,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1",C[C@@H](O)[C@@H](O)c1cnc2[nH]c(=N)nc(O)c2n1,C9H11N5O3,,237.086189212,LHQIJBMDNUYRAM,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Morpho sulkowskyi,785078.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Nymphalidae'],['Morphini'],['Morpho'],['Morpho sulkowskyi'],2,0,4.429285049438477
367,5487,-1,,,,0.60732126,ISDB,LHQIJBMDNUYRAM-AWFVSMACSA-N,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1",C[C@@H](O)[C@@H](O)c1cnc2[nH]c(=N)nc(O)c2n1,C9H11N5O3,,237.086189212,LHQIJBMDNUYRAM,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Morpho adonis,3109771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Nymphalidae'],['Morphini'],['Morpho'],['Morpho adonis'],2,0,4.429285049438477
368,5487,-1,,,,0.60732126,ISDB,LHQIJBMDNUYRAM-AWFVSMACSA-N,"InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m1/s1",C[C@@H](O)[C@@H](O)c1cnc2[nH]c(=N)nc(O)c2n1,C9H11N5O3,,237.086189212,LHQIJBMDNUYRAM,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Pyrrhocoris apterus,229718.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Pyrrhocoridae'],['Unknown'],['Pyrrhocoris'],['Pyrrhocoris apterus'],2,0,4.429285049438477
369,5486,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2765378,ISDB,APMOWAYJJFRJOB-JNZAINBZSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)24-18-27(37-20(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)/t21-,24-,25+,26+,27+,30-,31-,32-/m1/s1",CC(=O)O[C@H]1C[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]2(C)CCC3=C(CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]12C,C32H50O5,,514.3658247,APMOWAYJJFRJOB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Laetiporus sulphureus var. miniatus,779435.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Fomitopsidaceae'],['Unknown'],['Laetiporus'],['Laetiporus miniatus'],1,3,3.6061512231826782
370,5486,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2765378,ISDB,APMOWAYJJFRJOB-UHFFFAOYSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)24-18-27(37-20(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)",CC(=O)OC1CC(C(CCC=C(C)C)C(=O)O)C2(C)CCC3=C(CCC4C3(C)CCC(O)C4(C)C)C12C,C32H50O5,,514.3658247,APMOWAYJJFRJOB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Laetiporus miniatus,779435.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Fomitopsidaceae'],['Unknown'],['Laetiporus'],['Laetiporus miniatus'],1,3,3.6061512231826782
371,5486,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2765378,ISDB,APMOWAYJJFRJOB-UHFFFAOYSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-11-21(28(35)36)24-18-27(37-20(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h10,21,24-27,34H,9,11-18H2,1-8H3,(H,35,36)",CC(=O)OC1CC(C(CCC=C(C)C)C(=O)O)C2(C)CCC3=C(CCC4C3(C)CCC(O)C4(C)C)C12C,C32H50O5,,514.3658247,APMOWAYJJFRJOB,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Laetiporus sulphureus,343979.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Fomitopsidaceae'],['Unknown'],['Laetiporus'],['Laetiporus sulphureus'],1,3,3.6061512231826782
372,5483,38,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,pos_1_1proton1ammonium,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
373,5482,18,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,KVNPSKDDJARYKK-JTQLQIEISA-N,"InChI=1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)/t10-/m0/s1",COc1ccc2[nH]cc(C[C@H](N)C(=O)O)c2c1,C12H14N2O3,pos_1_1proton1isopropanol,234.100442308,KVNPSKDDJARYKK,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
374,5480,-1,,,,0.5642834,ISDB,YRBBTNSJJXHMPP-UHFFFAOYSA-N,"InChI=1S/C21H23NO4/c1-25-16-13-15(12-8-4-7-11-14-9-5-3-6-10-14)17-18(20(16)26-2)22-21(24)19(17)23/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,22,23,24)",COc1cc(CCCCCc2ccccc2)c2c(c1OC)NC(=O)C2=O,C21H23NO4,,353.162708216,YRBBTNSJJXHMPP,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Melochia tomentosa,803880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Melochia'],['Melochia tomentosa'],4,0,6.257133483886719
375,5479,353,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.5921246,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.8684983253479
376,5478,-1,,,,0.21204051,ISDB,SLLMHUNWRZOHCM-PROZZQCMSA-N,"InChI=1S/C32H50O5/c1-19(33)37-22-18-29(6)23(28(4,5)25(22)34)11-12-31(8)24(29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9,21-25,34H,10-18H2,1-8H3,(H,35,36)/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C32H50O5,,514.3658247,SLLMHUNWRZOHCM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Nothofagus dombeyi,451236.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Nothofagaceae'],['Unknown'],['Nothofagus'],['Nothofagus dombeyi'],1,0,1.848162055015564
377,5478,-1,,,,0.21204051,ISDB,SLLMHUNWRZOHCM-PROZZQCMSA-N,"InChI=1S/C32H50O5/c1-19(33)37-22-18-29(6)23(28(4,5)25(22)34)11-12-31(8)24(29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9,21-25,34H,10-18H2,1-8H3,(H,35,36)/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1O,C32H50O5,,514.3658247,SLLMHUNWRZOHCM,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lawsonia inermis,996694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Lawsonia'],['Lawsonia inermis'],1,0,1.848162055015564
378,5477,-1,,,,0.0,MS1_match,MTFMWINXJJVOSD-GLMCCFPUSA-N,"InChI=1S/C46H77NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h20-22,24-28,30-44,48,51-58H,7-19H2,1-6H3,(H,47,49)/t20-,21+,22-,24-,25-,26+,27-,28-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-/m0/s1",CC(=O)NC[C@@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H77NO17,pos_1_1sodium,915.519150004,MTFMWINXJJVOSD,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0
379,5473,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
380,5473,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
381,5473,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,3,8.5
382,5473,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BTNMPGBKDVTSJY-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)",O=C(O)C(=O)Cc1ccccc1,C9H8O3,pos_1_1proton,164.047344116,BTNMPGBKDVTSJY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
383,5469,76,Terpenoids,Naphthalenes,Isoindole alkaloids,0.454379,ISDB,,,,,,,VUANWDRZYTXGPI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8175159692764282
384,5468,14,Terpenoids,Steroids,Estrane steroids,0.0,MS1_match,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,pos_1_minus1proton1calcium,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,3,9.5
385,5466,337,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,UFOFLILZAYNLQQ-NHPWUDTJSA-N,"InChI=1S/C26H33N3O4/c30-20-8-10-26-11-9-24(31)27-12-1-2-13-28-14-3-15-29(18-28)25(32)7-5-19-4-6-22(21(26)16-19)33-23(26)17-20/h4-7,9,11,16,20,23,30H,1-3,8,10,12-15,17-18H2,(H,27,31)/b7-5+,11-9+/t20-,23+,26-/m0/s1",O=C1/C=C/[C@]23CC[C@H](O)C[C@H]2Oc2ccc(cc23)/C=C/C(=O)N2CCCN(CCCCN1)C2,C26H33N3O4,pos_1_1proton1acetonitrile,451.247106536,UFOFLILZAYNLQQ,Alkaloids,Ornithine alkaloids,Polyamines,Lunaria annua,464805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Biscutelleae'],['Lunaria'],['Lunaria annua'],6,3,7.5
386,5465,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.41979507,ISDB,GBWWXWBDOAISMH-UHFFFAOYSA-N,"InChI=1S/C32H48O4/c1-19(2)15-22-16-21(18-35-22)23-11-14-31(7)24-9-10-26-29(4,5)27(34)12-13-30(26,6)25(24)17-28(32(23,31)8)36-20(3)33/h9,15,21-23,25-26,28H,10-14,16-18H2,1-8H3",CC(=O)OC1CC2C(=CCC3C(C)(C)C(=O)CCC23C)C2(C)CCC(C3COC(C=C(C)C)C3)C12C,C32H48O4,,496.355260016,GBWWXWBDOAISMH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Trichilia prieureana,512080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia prieureana'],1,3,4.179180264472961
387,5464,-1,,,,0.28164202,ISDB,AYBHLNMQTQBJBX-MZBQYYHCSA-N,"InChI=1S/C40H77NO10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(43)35(45)31(30-50-40-38(48)37(47)36(46)34(29-42)51-40)41-39(49)33(44)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,31-38,40,42-48H,3-18,20,22-30H2,1-2H3,(H,41,49)/b21-19+/t31-,32+,33+,34+,35-,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H77NO10,,731.554747664,AYBHLNMQTQBJBX,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Rhaponticum chinense,27810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klaseopsis'],['Klaseopsis chinensis'],7,0,8.126568078994751
388,5461,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-CQSZACIVSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Phrodus bridgesii,383963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Phrodus'],['Phrodus bridgesii'],6,1,6.5
389,5461,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
390,5460,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SCKLXKXVABYWRC-UHFFFAOYSA-N,"InChI=1S/C16H18/c1-3-14-9-7-8-12-16(14)13(2)15-10-5-4-6-11-15/h4-13H,3H2,1-2H3",CCc1ccccc1C(C)c1ccccc1,C16H18,pos_2MNa,210.140850576,SCKLXKXVABYWRC,Alkaloids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
391,5459,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.68126446,ISDB,CQBUTECROSOOEZ-ATWMFIQVSA-N,"InChI=1S/C15H19NO/c1-16-11-5-8-14(16)12-15(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3/b10-9+/t14-/m1/s1",CN1CCC[C@@H]1CC(=O)/C=C/c1ccccc1,C15H19NO,,229.146664228,CQBUTECROSOOEZ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Darlingia darlingiana,414374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Darlingia'],['Darlingia darlingiana'],4,3,8.22505784034729
392,5458,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XXYMNUOJMDOHBS-WJWMFLMHSA-N,"InChI=1S/C20H27NO4/c1-11-5-8-14-15(10-21-9-3-4-16(21)19(22)23)20(24)25-18(14)17-12(2)6-7-13(11)17/h13-18H,1-10H2,(H,22,23)/t13-,14-,15-,16+,17-,18-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@@H]3C(=O)O)[C@@H]12,C20H27NO4,pos_1_minus1proton1calcium,345.194008344,XXYMNUOJMDOHBS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
393,5457,-1,,,,0.0,MS1_match,FKHYWNLUSRZJFP-LHLIQPBNSA-N,"InChI=1S/C10H15N5O3/c1-10(18,3-16)6(17)2-11-8-7-9(13-4-12-7)15-5-14-8/h4-6,16-18H,2-3H2,1H3,(H2,11,12,13,14,15)/t6-,10-/m1/s1",C[C@@](O)(CO)[C@H](O)CNc1nc[nH]c2ncnc1-2,C10H15N5O3,pos_2MK,253.11748934,FKHYWNLUSRZJFP,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
394,5456,115,Polyketides,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,LMIQERWZRIFWNZ-UHFFFAOYSA-N,"InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H",Oc1ccc2[nH]ccc2c1,C8H7NO,pos_1_1proton,133.052763844,LMIQERWZRIFWNZ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
395,5456,115,Polyketides,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NLMQHXUGJIAKTH-UHFFFAOYSA-N,"InChI=1S/C8H7NO/c10-8-3-1-2-7-6(8)4-5-9-7/h1-5,9-10H",Oc1cccc2[nH]ccc12,C8H7NO,pos_1_1proton,133.052763844,NLMQHXUGJIAKTH,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
396,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
397,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,0,8.0
398,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
399,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0
400,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
401,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0
402,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
403,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0
404,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
405,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0
406,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0
407,5453,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton1acetonitrile,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
408,5451,-1,,,,0.217916,ISDB,,,,,,,YTQZSTSOCQKOIE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8716639876365662
409,5450,50,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2794487,ISDB,LAXQYRRMGGEGOH-JXRLJXCWSA-N,"InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H50NO7P,,543.33248957,LAXQYRRMGGEGOH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,3,2.6177947521209717
410,5449,-1,,,,0.6279052,ISDB,QIKNIWLZQDIZOC-HVTJWUSDSA-N,"InChI=1S/C27H42/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,11-13,19-20,22-25H,8-10,14-18H2,1-5H3/t20-,22+,23-,24+,25-,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC=CC[C@]4(C)[C@@H]3CC[C@]12C,C27H42,,366.328651344,QIKNIWLZQDIZOC,Terpenoids,Steroids,Cholestane steroids,Rhipicephalus microplus,621053.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Ixodida'],['Ixodidae'],['Unknown'],['Rhipicephalus'],['Rhipicephalus microplus'],1,0,3.5116207599639893
411,5443,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7631753,ISDB,WCVUIHQUPRXYKT-RGCIIANRSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,7.052701234817505
412,5443,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7631753,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],4,0,7.052701234817505
413,5443,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7631753,ISDB,WCVUIHQUPRXYKT-GWQNOCNDSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Glycyrrhiza glabra,554264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Galegeae'],['Glycyrrhiza'],['Glycyrrhiza glabra'],4,0,7.052701234817505
414,5443,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7631753,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Genista numidica,1022926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Genisteae'],['Genista'],['Genista numidica'],4,0,7.052701234817505
415,5443,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7631753,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Ononis arvensis,1072859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis arvensis'],4,0,7.052701234817505
416,5443,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7631753,ISDB,WCVUIHQUPRXYKT-UHFFFAOYSA-N,"InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)",Cc1occc(=O)c1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,C18H24O12,,432.126776208,WCVUIHQUPRXYKT,,,,Herniaria glabra,300043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria glabra'],4,0,7.052701234817505
417,5442,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,FZKCYZNAORCYGO-HEGMYTHOSA-N,"InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22-,28-,29+,30+,31-,32+,35+/m0/s1",CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]12OC(C)=O,C35H46O10,pos_1_1proton1ammonium,626.309097672,FZKCYZNAORCYGO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,8.5
418,5442,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,RWZRNGOVGSXIQY-PIYRXYHCSA-N,"InChI=1S/C33H42O10/c1-18-14-25-29(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,43-23(6)36)30(41-22(5)35)19(2)15-27(37)32(7,8)28(38)16-26(18)40-21(4)34/h9-15,20,25-27,29-30,37H,16-17H2,1-8H3/b18-14+,19-15+/t20-,25+,26-,27+,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1/C(C)=C/[C@H](O)C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O10,pos_1_1proton1ethylamine,598.277797544,RWZRNGOVGSXIQY,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,8.5
419,5442,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,QPKPYRGCZAZZJU-STMFRTFUSA-N,"InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14+/t18-,19+,25-,27-,28+,29+,30-,33-/m1/s1",C=C1[C@H](OC(C)=O)CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H42O10,pos_1_1proton1ethylamine,598.277797544,QPKPYRGCZAZZJU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,3,8.5
420,5442,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,QPKPYRGCZAZZJU-STMFRTFUSA-N,"InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14+/t18-,19+,25-,27-,28+,29+,30-,33-/m1/s1",C=C1[C@H](OC(C)=O)CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H42O10,pos_1_1proton1ethylamine,598.277797544,QPKPYRGCZAZZJU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],7,3,8.5
421,5440,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Euphorbia pereskiifolia,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
422,5439,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.39711198,ISDB,RQLWDYSEFWBFBP-HPNVRDGLSA-N,"InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16?,19+,20+,21-,22?,24-,25?,26+/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@H]3OC[C@H](O)[C@@H](O)C3O)c(O)cc(O)c12,C26H28O15,,580.142820196,RQLWDYSEFWBFBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Deschampsia antarctica,3490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Deschampsia'],['Deschampsia antarctica'],5,3,8.08844792842865
423,5438,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WTGXAWKVZMQEDA-FYPHCDFOSA-N,"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O,C15H19NO10,pos_1_1proton1acetonitrile,373.100895808,WTGXAWKVZMQEDA,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
424,5437,-1,,,,0.0,MS1_match,ONIBWKKTOPOVIA-BYPYZUCNSA-N,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",O=C(O)[C@@H]1CCCN1,C5H9NO2,pos_2MH,115.063328528,ONIBWKKTOPOVIA,Amino acids and Peptides,Small peptides,Aminoacids,Stellaria media,432718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria media'],7,0,7.0
425,5435,-1,,,,0.0,MS1_match,LZFOPEXOUVTGJS-ONEGZZNKSA-N,"InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+",COc1cc(/C=C/CO)cc(OC)c1O,C11H14O4,pos_1_1proton2acetonitrile,210.089208928,LZFOPEXOUVTGJS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
426,5434,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.0,MS1_match,KQNPFQTWMSNSAP-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)",CC(C)C(=O)O,C4H8O2,pos_2MHCH3CN,88.052429496,KQNPFQTWMSNSAP,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Scarites subterraneus,804587.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Carabidae'],['Scaritini'],['Scarites'],['Scarites subterraneus'],6,1,6.5
427,5432,-1,,,,0.0,MS1_match,AFBUGKSTCXETMA-IHDABQKYSA-N,"InChI=1S/C29H44O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h14-20,22-24,31,33H,7-13H2,1-6H3/t14-,15+,16-,17-,18-,19-,20-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H]5C[C@H](C)[C@@H](C)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H44O7,pos_2_1magnesium,504.308703748,AFBUGKSTCXETMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
428,5430,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91741157,ISDB,JQOTXJRWMCMWBT-UHFFFAOYSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(O)c1ccc4c(c1C2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,11.169646263122559
429,5430,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91741157,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],6,3,11.169646263122559
430,5430,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91741157,ISDB,JQOTXJRWMCMWBT-UFYCRDLUSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis flabellata,6130375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis flabellata'],6,3,11.169646263122559
431,5430,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91741157,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pseudofumaria lutea,978868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pseudofumaria'],['Pseudofumaria lutea'],6,3,11.169646263122559
432,5430,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91741157,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,3,11.169646263122559
433,5428,161,Carbohydrates,Saccharides,Monosaccharides,0.67870027,ISDB,CLRLHXKNIYJWAW-YOQZMRDMSA-N,"InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1",O=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O1,C9H16O9,,268.079432092,CLRLHXKNIYJWAW,Carbohydrates,Saccharides,Monosaccharides,Oncorhynchus keta,739921.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Salmoniformes'],['Salmonidae'],['Unknown'],['Oncorhynchus'],['Oncorhynchus keta'],2,3,6.214801073074341
434,5427,524,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.5216596,ISDB,NIYQPBJUTVQCLM-QHHAFSJGSA-N,"InChI=1S/C15H12O6/c16-11-4-1-9(7-13(11)18)2-6-15(20)21-10-3-5-12(17)14(19)8-10/h1-8,16-19H/b6-2+",O=C(/C=C/c1ccc(O)c(O)c1)Oc1ccc(O)c(O)c1,C15H12O6,,288.063388104,NIYQPBJUTVQCLM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Froelichia floridana,258774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Amaranthaceae'],['Unknown'],['Froelichia'],['Froelichia floridana'],5,1,7.586638450622559
435,5426,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,PNFYIMUZUVHOIA-QWOWMKOQSA-N,"InChI=1S/C23H38O6/c1-14(12-19(25)28-7)10-11-23(27)15(2)8-9-18-21(4,5)20(26)17(29-16(3)24)13-22(18,23)6/h12,15,17-18,20,26-27H,8-11,13H2,1-7H3/b14-12+/t15-,17-,18+,20-,22+,23+/m1/s1",COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(C)=O)C[C@@]21C,C23H38O6,pos_2MFe,410.266838936,PNFYIMUZUVHOIA,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,2,7.0
436,5425,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.5642652,ISDB,,,,,,,PCZHKBKRQDUVHF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2570607662200928
437,5424,-1,,,,0.5161307,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,0,6.064522743225098
438,5421,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5878603,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,7.851441144943237
439,5420,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.49782375,ISDB,SDWGOFYIBUYAQT-ZNMIVQPWSA-N,"InChI=1S/C15H24O2/c1-11-5-4-6-14(3)7-8-15(17,9-13(11)14)12(2)10-16/h13,16-17H,1-2,4-10H2,3H3/t13-,14+,15-/m0/s1",C=C1CCC[C@]2(C)CC[C@@](O)(C(=C)CO)C[C@@H]12,C15H24O2,,236.177630008,SDWGOFYIBUYAQT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea petrovii,7612512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea petrovii'],7,2,9.991294980049133
440,5419,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JDXJTMWWGZXTGE-FVSNMVKCSA-N,"InChI=1S/C33H42O9/c1-19-14-15-32(7,8)28(37)17-27(39-22(4)34)20(2)16-26-29(41-31(38)25-12-10-9-11-13-25)21(3)18-33(26,42-24(6)36)30(19)40-23(5)35/h9-16,19,21,26-27,29-30H,17-18H2,1-8H3/b15-14-,20-16-/t19-,21-,26+,27-,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O9,pos_1_1proton1ammonium,582.2828829239999,JDXJTMWWGZXTGE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
441,5419,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,NGDYOIKDURHVFB-HSFANBJSSA-N,"InChI=1S/C33H42O9/c1-20-15-16-32(6,7)28(37)18-26(39-22(3)34)13-14-27-30(41-29(38)17-25-11-9-8-10-12-25)21(2)19-33(27,42-24(5)36)31(20)40-23(4)35/h8-16,20-21,26-27,30-31H,17-19H2,1-7H3/b14-13+,16-15+/t20-,21+,26+,27+,30+,31+,33-/m1/s1",CC(=O)O[C@H]1/C=C/[C@H]2[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)/C=C/C(C)(C)C(=O)C1,C33H42O9,pos_1_1proton1ammonium,582.282882924,NGDYOIKDURHVFB,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
442,5417,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.50782704,ISDB,KFTJQBMBWGAXNI-HCLFTBTMSA-N,"InChI=1S/C27H34O2/c1-24(2)21-11-13-27-12-10-20(26(4,29)17-27)15-22(27)25(21,3)16-19(23(24)28)14-18-8-6-5-7-9-18/h5-10,12,14,20-22,29H,11,13,15-17H2,1-4H3/b19-14+/t20-,21+,22-,25+,26-,27+/m0/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H34O2,,390.255880328,KFTJQBMBWGAXNI,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,6.531308174133301
443,5416,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.48320487,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,2,6.932819485664368
444,5415,-1,,,,0.0,MS1_match,FUZGJRALEKGYPO-UZLMLTDASA-N,"InChI=1S/C55H72N4O6/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42/h12,25,27-33,36,40,51,56,60H,1,13-24,26H2,2-11H3/b34-25+,41-30?,42-27?,44-28?,45-29?,52-50?/t32-,33-,36+,40+,51+/m1/s1",C=Cc1c(C)c2[nH]c1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@@H](C(=O)OC)C3=C1N=C(C=2)[C@@H](C)[C@@H]1CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C55H72N4O6,pos_2_2proton,884.545186024,FUZGJRALEKGYPO,,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
445,5412,-1,,,,0.43375152,ISDB,,,,,,,BCUWVFLBSZYRPA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7350060939788818
446,5411,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.43829972,ISDB,BUGJJLOUCDBMAS-UHFFFAOYSA-N,"InChI=1S/C12H23NO7/c1-6(2)3-7(12(19)20)13-4-8(15)10(17)11(18)9(16)5-14/h6-7,9-11,13-14,16-18H,3-5H2,1-2H3,(H,19,20)",CC(C)CC(NCC(=O)C(O)C(O)C(O)CO)C(=O)O,C12H23NO7,,293.14745207600004,BUGJJLOUCDBMAS,Carbohydrates,Aminosugars and aminoglycosides,Aminosugars,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],1,0,2.7531988620758057
447,5409,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,TZCKNDPYYKEPHO-WAYTWBJWSA-N,"InChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3/b13-8+/t14-,15+/m0/s1",C=C[C@@](C)(O)CC/C=C(\C)C[C@@H](O)C=C(C)C,C15H26O2,pos_2MFe,238.193280072,TZCKNDPYYKEPHO,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
448,5409,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,WPGYCMWKXXCJMW-WXEXDPBMSA-N,"InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10+/t15-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)C/C=C/C(C)(C)O,C15H26O2,pos_2MFe,238.193280072,WPGYCMWKXXCJMW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
449,5409,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,LOLOOEMMLLRJKC-ZSAUSMIDSA-N,"InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)[C@@H](CO)C[C@@H](O)C[C@H]2C,C15H26O2,pos_2MFe,238.193280072,LOLOOEMMLLRJKC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
450,5406,-1,,,,0.0,MS1_match,NYHBQMYGNKIUIF-UUOKFMHZSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1",N=c1nc(O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,C10H13N5O5,pos_2MK,283.091668516,NYHBQMYGNKIUIF,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
451,5405,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.89988315,ISDB,RTATXGUCZHCSNG-ZFDPGQBLSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15-,17-,18+,20-,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],5,3,10.09953260421753
452,5404,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.42937955,ISDB,KNOXUMZPTHELAO-MDZDMXLPSA-N,"InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+",O=C(/C=C/c1ccccc1)N1CCCCC1,C14H17NO,,215.131014164,KNOXUMZPTHELAO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,3,7.217518210411072
453,5404,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.42937955,ISDB,KNOXUMZPTHELAO-MDZDMXLPSA-N,"InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+",O=C(/C=C/c1ccccc1)N1CCCCC1,C14H17NO,,215.131014164,KNOXUMZPTHELAO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.217518210411072
454,5404,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.42937955,ISDB,KNOXUMZPTHELAO-MDZDMXLPSA-N,"InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+",O=C(/C=C/c1ccccc1)N1CCCCC1,C14H17NO,,215.131014164,KNOXUMZPTHELAO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.217518210411072
455,5402,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.43109566,ISDB,,,,,,,OPPMWGAXISREHM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7243826389312744
456,5401,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.7890612,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus neoniveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,2,5.15624475479126
457,5401,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.7890612,ISDB,ZRIHKTRPGQFSOY-VXGFLCMSSA-N,"InChI=1S/C24H35NO2/c1-15(2)12-20-22-18(5)17(4)14-19-13-16(3)10-8-6-7-9-11-21(26)24(19,22)23(27)25-20/h9,11,13-15,18-20,22H,6-8,10,12H2,1-5H3,(H,25,27)/b11-9-,16-13-/t18-,19+,20+,22+,24-/m1/s1",CC1=C[C@@H]2/C=C(/C)CCCC/C=C\C(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C24H35NO2,,369.26677936,ZRIHKTRPGQFSOY,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Aspergillus niveus,236218.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus neoniveus'],1,2,5.15624475479126
458,5398,-1,,,,0.0,MS1_match,DFPMSGMNTNDNHN-OHXUDFEXSA-N,"InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18-,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H32O14,pos_2_2sodium,580.179205704,DFPMSGMNTNDNHN,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
459,5397,157,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
460,5397,157,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
461,5397,157,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_2_2sodium,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
462,5393,-1,,,,0.63261664,ISDB,ZNXZGRMVNNHPCA-VIFPVBQESA-N,"InChI=1S/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)/t9-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCS,C11H22N2O4S,,278.130028184,ZNXZGRMVNNHPCA,Fatty acids,Fatty amides,N-acyl amines,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,0,6.530466556549072
463,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
464,5392,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
465,5392,-1,,,,0.0,MS1_match,PFDGLXOOSQNAKH-IQXKZXBGSA-N,"InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9-,10+,11+,12+,13-,15-/m1/s1",C=C1[C@@H](O)C[C@H](O)[C@@]2(C)CC[C@H]3[C@@H](OC(=O)[C@@H]3C)[C@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PFDGLXOOSQNAKH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
466,5392,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-LFYQSXPISA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14+,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
467,5392,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-LFYQSXPISA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14+,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paniculata,735135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paniculata'],7,0,7.0
468,5392,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-WVCIDPQESA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14-,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea australis,337140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus chilensis'],7,0,7.0
469,5392,-1,,,,0.0,MS1_match,UGBHLGXQNHUOHV-UMIWPCRESA-N,"InChI=1S/C15H22O4/c1-7-10-4-3-9(6-16)11-5-12(17)8(2)13(11)14(10)19-15(7)18/h7-8,10,12-14,16-17H,3-6H2,1-2H3/t7-,8-,10+,12-,13+,14+/m0/s1",C[C@@H]1[C@@H]2C(=C(CO)CC[C@H]3[C@H]2OC(=O)[C@H]3C)C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,UGBHLGXQNHUOHV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
470,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
471,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea sicula,3894207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sicula'],7,0,7.0
472,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
473,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
474,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
475,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
476,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
477,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
478,5392,-1,,,,0.0,MS1_match,LWHRXFOPIDTJSG-PFKAGXPPSA-N,"InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-14,16-17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LWHRXFOPIDTJSG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
479,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
480,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
481,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
482,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea,1030541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Unknown'],7,0,7.0
483,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum tauricum,795542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum tauricum'],7,0,7.0
484,5392,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
485,5392,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QLKRELFBSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12+,13-,14-/m1/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
486,5392,-1,,,,0.0,MS1_match,OUPKJRAFJRTDMN-HJPYRHJCSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h6,9,11-13,17H,2,4-5H2,1,3H3/t9-,11+,12-,13+,15+/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)C(=O)C=C(C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,OUPKJRAFJRTDMN,Terpenoids,Sesquiterpenoids,Iphionane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
487,5392,-1,,,,0.0,MS1_match,LASQZSRKRLHSPX-URFZWBKFSA-N,"InChI=1S/C15H22O4/c1-5-14(3)7-6-10-12(11(14)9(2)8-16)19-13(17)15(10,4)18/h5,10-12,16,18H,1-2,6-8H2,3-4H3/t10-,11-,12-,14-,15-/m1/s1",C=C[C@]1(C)CC[C@@H]2[C@@H](OC(=O)[C@]2(C)O)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LASQZSRKRLHSPX,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea,1030541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Unknown'],7,0,7.0
488,5392,-1,,,,0.0,MS1_match,GSLRFQSAMMVDEI-RYLXROFPSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,10,12-14,16-17H,3,5,7-8H2,1-2H3/b9-4-,11-6+/t10-,12-,13-,14+/m0/s1",C/C1=C/CC/C(CO)=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,GSLRFQSAMMVDEI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
489,5392,-1,,,,0.0,MS1_match,MQRHMIQHZYPICC-YRTQZTBLSA-N,"InChI=1S/C15H22O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7-13,17H,3-6H2,1-2H3/t8-,9-,10-,11+,12+,13-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@@H](C=O)[C@H]21,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,MQRHMIQHZYPICC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea gradata,6057302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea decipiens'],7,0,7.0
490,5392,-1,,,,0.0,MS1_match,MQRHMIQHZYPICC-NOVMUXRISA-N,"InChI=1S/C15H22O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7-13,17H,3-6H2,1-2H3/t8-,9+,10-,11+,12+,13-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@H](C=O)[C@H]21,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,MQRHMIQHZYPICC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
491,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
492,5392,-1,,,,0.0,MS1_match,TVHFAQKTIGHVST-PVZBEVCSSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10-11(9(3)14(18)19-10)13(17)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10+,11-,12-,13+,15-/m1/s1",C=C[C@]1(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](O)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,TVHFAQKTIGHVST,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
493,5392,-1,,,,0.0,MS1_match,NYRGUJSEUJUXBF-UHFFFAOYSA-N,"InChI=1S/C15H22O4/c1-11(2)4-3-9-19-15(18)8-6-12-5-7-13(16)14(17)10-12/h5,7,10-11,16-17H,3-4,6,8-9H2,1-2H3",CC(C)CCCOC(=O)CCc1ccc(O)c(O)c1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,NYRGUJSEUJUXBF,Shikimates and Phenylpropanoids,,,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
494,5392,-1,,,,0.0,MS1_match,QMBKDJABOPPEQF-NJXKZCCBSA-N,"InChI=1S/C15H22O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h8-13,16,18H,1,4-6H2,2-3H3/t8-,9-,10+,11+,12-,13-,15+/m1/s1",C=C1CC[C@H]2[C@@H](OC(=O)[C@@]2(C)O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,QMBKDJABOPPEQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
495,5392,-1,,,,0.0,MS1_match,ZTRSVJILTKDCGR-IHWVXMPCSA-N,"InChI=1S/C15H18O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,10-13,17H,1-3,6H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,ZTRSVJILTKDCGR,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
496,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
497,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,0,7.0
498,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
499,5392,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
500,5392,-1,,,,0.0,MS1_match,PXBZMGHIEDYLOI-JSGCOSHPSA-N,"InChI=1S/C15H22O4/c1-10-4-3-5-14(2)12(10)6-11(7-13(14)18)15(19,8-16)9-17/h7,12,16-17,19H,1,3-6,8-9H2,2H3/t12-,14-/m0/s1",C=C1CCC[C@]2(C)C(=O)C=C(C(O)(CO)CO)C[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PXBZMGHIEDYLOI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,0,7.0
501,5392,-1,,,,0.0,MS1_match,SQNNWZYJAHLOGG-ABSBZMSDSA-N,"InChI=1S/C17H22O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h9,12-16H,1,3,5-7H2,2,4H3/t9-,12+,13-,14-,15-,16-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@H]3CCC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O4,pos_1_1proton1ammonium,290.151809184,SQNNWZYJAHLOGG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
502,5392,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
503,5392,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,0,7.0
504,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-UHFFFAOYSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
505,5392,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
506,5392,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
507,5392,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-GYRMMRJHSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9?,11+,12?,13?,14-/m1/s1",C=C1C[C@H](O)C2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@H]2C,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
508,5392,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,0,7.0
509,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
510,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
511,5392,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
512,5392,-1,,,,0.0,MS1_match,PBXKFMXJVNEHCU-WBSYEDSCSA-N,"InChI=1S/C15H22O4/c1-8-3-4-11-12(8)13-10(9(2)14(17)19-13)5-6-15(11,18)7-16/h9-13,16,18H,1,3-7H2,2H3/t9-,10-,11+,12-,13-,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]2(O)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PBXKFMXJVNEHCU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
513,5392,-1,,,,0.0,MS1_match,DIFWDYWGFQATQG-UXJUNDEPSA-N,"InChI=1S/C15H22O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h8-13,16-17H,1,4-6H2,2-3H3/t8-,9-,10-,11+,12-,13+,15+/m0/s1",C=C1C[C@H](O)[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,DIFWDYWGFQATQG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
514,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
515,5392,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,0,7.0
516,5392,-1,,,,0.0,MS1_match,LVABKRFKENTQBT-SYPGZIFDSA-N,"InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15+/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@@](C)(CC[C@@H]12)[C@H](O)CC[C@@]3(C)O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LVABKRFKENTQBT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
517,5392,-1,,,,0.0,MS1_match,SKCZNKOWUHMFNX-BTYLPEKESA-N,"InChI=1S/C17H22O4/c1-8-4-5-11-9(2)6-12(18)14-15(13(8)11)20-16(19)17(14)7-10(3)21-17/h10-15,18H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14-,15-,17+/m1/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@@H]3[C@H](OC(=O)[C@]34C[C@@H](C)O4)[C@@H]12,C17H22O4,pos_1_1proton1ammonium,290.151809184,SKCZNKOWUHMFNX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
518,5392,-1,,,,0.0,MS1_match,SKCZNKOWUHMFNX-BTYLPEKESA-N,"InChI=1S/C17H22O4/c1-8-4-5-11-9(2)6-12(18)14-15(13(8)11)20-16(19)17(14)7-10(3)21-17/h10-15,18H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14-,15-,17+/m1/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@@H]3[C@H](OC(=O)[C@]34C[C@@H](C)O4)[C@@H]12,C17H22O4,pos_1_1proton1ammonium,290.151809184,SKCZNKOWUHMFNX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus burchardii,404589.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus burchardii'],7,0,7.0
519,5392,-1,,,,0.0,MS1_match,HJXGUAIRSRWQOH-CXVGIJJFSA-N,"InChI=1S/C15H22O4/c1-7-9-3-4-15(6-18-15)10-5-11(16)8(2)12(10)13(9)19-14(7)17/h7-13,16H,3-6H2,1-2H3/t7-,8+,9+,10+,11-,12-,13-,15-/m0/s1",C[C@H]1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@H]3CC[C@]3(CO3)[C@@H]2C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HJXGUAIRSRWQOH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
520,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
521,5392,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
522,5392,-1,,,,0.0,MS1_match,PBXKFMXJVNEHCU-YZDFOLFKSA-N,"InChI=1S/C15H22O4/c1-8-3-4-11-12(8)13-10(9(2)14(17)19-13)5-6-15(11,18)7-16/h9-13,16,18H,1,3-7H2,2H3/t9-,10+,11-,12+,13+,15-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PBXKFMXJVNEHCU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
523,5391,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,SZLIWAKTUJFFNX-HNNXBMFYSA-N,"InChI=1S/C17H26O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3/t15-/m0/s1",CC(C)CCC[C@H](C)CCOC(=O)c1ccccc1,C17H26O2,pos_2_2sodium,262.193280072,SZLIWAKTUJFFNX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,2,7.0
524,5391,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_1_1proton1ammonium,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,2,7.0
525,5391,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,GPSDUZXPYCFOSQ-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",Cc1cccc(C(=O)O)c1,C8H8O2,pos_1_1proton1ammonium,136.052429496,GPSDUZXPYCFOSQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],6,2,7.0
526,5390,221,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
527,5388,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.32454482,ISDB,QCKLWMZDBAKXMG-DLZIFNNKSA-N,"InChI=1S/C29H30O17/c30-11-3-1-10(2-4-11)16-6-14(33)20-12(31)5-13(32)21(26(20)44-16)27-28(46-29-25(41)22(38)15(34)8-43-29)24(40)23(39)17(45-27)9-42-19(37)7-18(35)36/h1-6,15,17,22-25,27-32,34,38-41H,7-9H2,(H,35,36)/t15-,17-,22-,23-,24+,25-,27+,28-,29-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C29H30O17,,650.1482995,QCKLWMZDBAKXMG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],5,3,7.798179268836975
528,5386,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PXUQTDZNOHRWLI-JJYSZZJESA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20-,21+,23-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1proton,493.13405266009,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
529,5384,-1,,,,0.0,MS1_match,LTWSTSXCASUIMQ-DMIPQKQBSA-N,"InChI=1S/C26H34O13/c1-35-17-8-14(4-5-15(17)29)23-26(34,11-28)25(33,12-37-23)9-13-3-6-16(18(7-13)36-2)38-24-22(32)21(31)20(30)19(10-27)39-24/h3-8,19-24,27-34H,9-12H2,1-2H3/t19-,20-,21+,22-,23-,24-,25-,26+/m1/s1",COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@]2(O)CO)ccc1O,C26H34O13,pos_1_1proton1ammonium,554.1999411479998,LTWSTSXCASUIMQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
530,5384,-1,,,,0.0,MS1_match,LTWSTSXCASUIMQ-DMIPQKQBSA-N,"InChI=1S/C26H34O13/c1-35-17-8-14(4-5-15(17)29)23-26(34,11-28)25(33,12-37-23)9-13-3-6-16(18(7-13)36-2)38-24-22(32)21(31)20(30)19(10-27)39-24/h3-8,19-24,27-34H,9-12H2,1-2H3/t19-,20-,21+,22-,23-,24-,25-,26+/m1/s1",COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@]2(O)CO)ccc1O,C26H34O13,pos_1_1proton1ammonium,554.1999411479998,LTWSTSXCASUIMQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
531,5384,-1,,,,0.0,MS1_match,LTWSTSXCASUIMQ-DMIPQKQBSA-N,"InChI=1S/C26H34O13/c1-35-17-8-14(4-5-15(17)29)23-26(34,11-28)25(33,12-37-23)9-13-3-6-16(18(7-13)36-2)38-24-22(32)21(31)20(30)19(10-27)39-24/h3-8,19-24,27-34H,9-12H2,1-2H3/t19-,20-,21+,22-,23-,24-,25-,26+/m1/s1",COc1cc([C@H]2OC[C@](O)(Cc3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@]2(O)CO)ccc1O,C26H34O13,pos_1_1proton1ammonium,554.1999411479998,LTWSTSXCASUIMQ,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
532,5383,338,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,KEMQGTRYUADPNZ-UHFFFAOYSA-N,"InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)",CCCCCCCCCCCCCCCCC(=O)O,C17H34O2,pos_2_2sodium,270.255880328,KEMQGTRYUADPNZ,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],9,2,10.0
533,5382,-1,,,,0.0,MS1_match,DHAZBDGJARVKIF-UHFFFAOYSA-N,"InChI=1S/C30H44O10/c1-27-6-3-21-22(30(27,37)9-5-20(27)17-10-25(34)39-14-17)4-8-29(36)12-18(2-7-28(21,29)16-32)40-19-11-23(33)26(35)24(13-31)38-15-19/h10,16,18-24,26,31,33,35-37H,2-9,11-15H2,1H3",CC12CCC3C(CCC4(O)CC(OC5COC(CO)C(O)C(O)C5)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1,C30H44O10,pos_2_2proton2acetonitrile,564.293447608,DHAZBDGJARVKIF,Terpenoids,Steroids,Cardenolides,Erysimum perofskianum,888138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Erysimeae'],['Erysimum'],['Erysimum perofskianum'],6,0,6.0
534,5381,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2670383,ISDB,OYHXDUWERFEPRP-GAJNJCMXSA-N,"InChI=1S/C32H50O6/c1-18(10-9-11-19(2)28(36)37)22-16-25(35)32(8)27-21(12-15-31(22,32)7)30(6)14-13-26(38-20(3)33)29(4,5)24(30)17-23(27)34/h11,18,22-26,34-35H,9-10,12-17H2,1-8H3,(H,36,37)/b19-11+/t18-,22-,23-,24+,25+,26+,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3,C32H50O6,,530.3607393199999,OYHXDUWERFEPRP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Ganoderma,3803604.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Unknown'],1,3,3.568153142929077
535,5380,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8718597,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,8.987438917160034
536,5379,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5852212,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],0,3,3.8408846855163574
537,5379,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5852212,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],0,3,3.8408846855163574
538,5379,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.5852212,ISDB,PYVRVRFVLRNJLY-KTKRTIGZSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],0,3,3.8408846855163574
539,5378,-1,,,,0.0,MS1_match,YJMLVTXMUFPNTN-KEFZKFPISA-N,"InChI=1S/C31H48O5/c1-17(2)18(3)16-26(33)28(29(34)35)25-11-10-23-21-8-9-22-19(4)27(36-20(5)32)13-15-30(22,6)24(21)12-14-31(23,25)7/h8,17,19,22-28,33H,3,9-16H2,1-2,4-7H3,(H,34,35)/t19-,22-,23-,24-,25+,26-,27-,28-,30-,31-/m0/s1",C=C(C[C@H](O)[C@@H](C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C31H48O5,pos_1_minus1proton1iron,500.350174636,YJMLVTXMUFPNTN,Terpenoids,Steroids,Cholestane steroids,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,0,6.0
540,5377,645,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
541,5376,1341,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
542,5376,1341,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5
543,5376,1341,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5
544,5375,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,LLEMMFPELBNINR-UHFFFAOYSA-N,"InChI=1S/C19H28O11/c20-6-10-12(21)14(23)16(25)19(29-10)28-8-11-13(22)15(24)17(26)18(30-11)27-7-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2",OCC1OC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,LLEMMFPELBNINR,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
545,5375,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
546,5375,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,WKXRKKUZTXIFJY-DKXZPXFLSA-N,"InChI=1S/C19H28O11/c20-6-10-12(22)14(24)16(26)18(28-10)30-17-15(25)13(23)11(7-21)29-19(17)27-8-9-4-2-1-3-5-9/h1-5,10-26H,6-8H2/t10-,11-,12+,13+,14+,15+,16-,17-,18+,19-/m1/s1",OC[C@H]1O[C@@H](O[C@H]2[C@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C19H28O11,pos_1_1proton1ammonium,432.163161716,WKXRKKUZTXIFJY,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
547,5374,206,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton2acetonitrile,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
548,5373,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
549,5373,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
550,5373,-1,,,,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
551,5373,-1,,,,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_1_1proton,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
552,5373,-1,,,,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_1_1proton,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
553,5371,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
554,5371,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
555,5369,403,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,0.0,MS1_match,XXWIUGNNANJILR-SNVBAGLBSA-N,"InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,10,12H/t10-/m1/s1",O=C1C=C(c2ccccc2)[C@H](O)O1,C10H8O3,pos_1_1proton,176.047344116,XXWIUGNNANJILR,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],6,3,7.5
556,5368,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.3822648,ISDB,MPUWFKYDUGBWJT-QFBXSRMPSA-N,"InChI=1S/C26H28O14/c27-7-16-20(34)21(35)25(40-26-22(36)19(33)14(32)8-37-26)24(39-16)18-12(30)5-11(29)17-13(31)6-15(38-23(17)18)9-1-3-10(28)4-2-9/h1-6,14,16,19-22,24-30,32-36H,7-8H2/t14-,16?,19+,20-,21+,22?,24+,25?,26+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC[C@@H](O)[C@H](O)C3O)c(O)cc(O)c12,C26H28O14,,564.147905576,MPUWFKYDUGBWJT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Setaria italica,553005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Setaria'],['Setaria italica'],5,3,8.029059171676636
557,5366,-1,,,,0.0,MS1_match,RQSSRCUNGIYPIQ-PUIBNRJISA-N,"InChI=1S/C23H22O11/c1-29-22-17(25)12-4-3-11(32-23-20(28)19(27)18(26)16(8-24)34-23)7-14(12)33-21(22)10-2-5-13-15(6-10)31-9-30-13/h2-7,16,18-20,23-24,26-28H,8-9H2,1H3/t16-,18-,19+,20-,23-/m1/s1",COc1c(-c2ccc3c(c2)OCO3)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O,C23H22O11,pos_1_1proton1ethylamine,474.116211524,RQSSRCUNGIYPIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hyoscyamus niger,822716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Hyoscyamus'],['Hyoscyamus niger'],6,0,6.0
558,5365,1457,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,pos_1_1proton,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
559,5361,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6238342,ISDB,HIACZWPSGFMDRF-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h4,7-8,10-11H,5-6H2,1-3H3",Cc1ccc2c(c1)C(C)CCC2C,C13H18,,174.140850576,HIACZWPSGFMDRF,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,9.995336771011353
560,5360,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LSBHOHCINQFSLQ-ZPTDNNSVSA-N,"InChI=1S/C17H24O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,12,15-16H,4,6-8,10H2,1-3H3/b11-5+,14-9-/t12-,15-,16+/m0/s1",CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C17H24O4,pos_1_1proton,292.167459248,LSBHOHCINQFSLQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,2,8.0
561,5360,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PLNSOEYRQLUSAI-WWGRRREGSA-N,"InChI=1S/C16H20O3/c1-10(15(18)19-4)12-5-7-16(3)8-6-14(17)11(2)13(16)9-12/h6,8,12-13H,1-2,5,7,9H2,3-4H3/t12-,13+,16+/m1/s1",C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)C=CC(=O)C(=C)[C@@H]2C1,C16H20O3,pos_1_1proton1methanol,260.1412445,PLNSOEYRQLUSAI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,2,8.0
562,5359,-1,,,,0.0,MS1_match,WTGXAWKVZMQEDA-FYPHCDFOSA-N,"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O,C15H19NO10,pos_1_1proton1ethylamine,373.100895808,WTGXAWKVZMQEDA,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
563,5357,-1,,,,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1potassium,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
564,5357,-1,,,,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1potassium,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
565,5356,216,Terpenoids,Meroterpenoids,Catechols with side chains,0.6274602,ISDB,BMDMRPRGJZSKOI-BVNLDUDUSA-N,"InChI=1S/C23H34O3/c1-6-19-15-20(24)23(22(26-23)21(19)25)14-13-18(5)12-8-11-17(4)10-7-9-16(2)3/h9,11,13,15,21-22,25H,6-8,10,12,14H2,1-5H3/b17-11+,18-13+/t21-,22-,23+/m1/s1",CCC1=CC(=O)[C@]2(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2[C@@H]1O,C23H34O3,,358.250794948,BMDMRPRGJZSKOI,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],0,2,3.509840726852417
566,5355,-1,,,,0.34576425,ISDB,,,,,,,CQOAKBVRRVHWKV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3830569982528687
567,5352,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
568,5351,-1,,,,0.0,MS1_match,SKXHJQVMKVYEIW-CYMBVTJASA-N,"InChI=1S/C16H26O9/c1-5-9(4)13(21)16(24,14(22)12(20)10(18)7-17)15(23)25-11(19)6-8(2)3/h5,8,10,12,14,17-18,20,22,24H,6-7H2,1-4H3/b9-5-/t10-,12-,14+,16-/m1/s1",C/C=C(/C)C(=O)[C@](O)(C(=O)OC(=O)CC(C)C)[C@@H](O)[C@H](O)[C@H](O)CO,C16H26O9,pos_1_1proton1methanol,362.157682412,SKXHJQVMKVYEIW,,,,Centaurea diffusa,331371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea diffusa'],7,0,7.0
569,5349,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5051914,ISDB,BYHNRBCHDSLSBR-MRXNPFEDSA-N,"InChI=1S/C21H21NO5/c1-22-6-4-13-9-17-18(27-11-26-17)10-15(13)16(22)8-14-3-2-12-5-7-25-20(12)19(14)21(23)24/h2-3,9-10,16H,4-8,11H2,1H3,(H,23,24)/t16-/m1/s1",CN1CCc2cc3c(cc2[C@H]1Cc1ccc2c(c1C(=O)O)OCC2)OCO3,C21H21NO5,,367.141972772,BYHNRBCHDSLSBR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,9.520765542984009
570,5348,34,Fatty acids,Glycerophospholipids,Glycerophosphates,0.0,MS1_match,JZEOKKQUSZYUOF-YSTUJMKBSA-N,"InChI=1S/C24H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)21(25)19-22(28-2)24(20)27/h4-5,7-8,10-11,19,26H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-",CC/C=C\C/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,C24H34O4,pos_1_1sodium1acetonitrile,386.245709568,JZEOKKQUSZYUOF,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Sorghum bicolor,552986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum bicolor'],6,0,6.0
571,5345,-1,,,,0.0,MS1_match,ZPTMNBRINTXMMP-URTKZKHZSA-N,"InChI=1S/C36H58O7/c1-31(2)13-14-33(5)15-16-35(7)20(21(33)18-31)17-22(38)29-34(6)11-10-25(32(3,4)24(34)9-12-36(29,35)8)43-30-28(41)27(40)26(39)23(19-37)42-30/h17,21,23-30,37,39-41H,9-16,18-19H2,1-8H3/t21-,23+,24-,25-,26+,27-,28+,29+,30-,33+,34-,35+,36+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C36H58O7,pos_1_1proton1isopropanol,602.418254196,ZPTMNBRINTXMMP,Terpenoids,Triterpenoids,Oleanane triterpenoids,Tolpis webbii,172010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Tolpis'],['Tolpis webbii'],6,0,6.0
572,5344,-1,,,,0.0,MS1_match,KOMUHHCFAXYRPO-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O,C22H22O11,pos_1_1sodium,462.1162115239998,KOMUHHCFAXYRPO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
573,5344,-1,,,,0.0,MS1_match,KOMUHHCFAXYRPO-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O,C22H22O11,pos_1_1sodium,462.1162115239998,KOMUHHCFAXYRPO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
574,5342,-1,,,,0.0,MS1_match,PMBZSEOAOIYRMW-FYPHCDFOSA-N,"InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2,C15H19NO9,pos_1_1proton1ethylamine,357.105981188,PMBZSEOAOIYRMW,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
575,5342,-1,,,,0.0,MS1_match,GURCLRPJAALUEO-GDLBMNFOSA-N,"InChI=1S/C15H19NO9/c17-4-7-10(18)11(19)12(20)15(25-7)24-6-3-1-2-5-8(14(22)23)13(21)16-9(5)6/h1-3,5,7-12,15,17-20H,4H2,(H,16,21)(H,22,23)/t5-,7+,8-,9+,10+,11-,12+,15+/m0/s1",O=C(O)[C@@H]1C(=O)N[C@H]2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C[C@@H]12,C15H19NO9,pos_1_1proton1ethylamine,357.105981188,GURCLRPJAALUEO,Amino acids and Peptides,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
576,5338,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,ZIEFIDANMCIAOW-LBPRGKRZSA-N,"InChI=1S/C12H11NO2S/c1-12(15)7-16-11-9(6-14)8-4-2-3-5-10(8)13(11)12/h2-6,15H,7H2,1H3/t12-/m0/s1",C[C@]1(O)CSc2c(C=O)c3ccccc3n21,C12H11NO2S,pos_2MHCH3CN,233.051049592,ZIEFIDANMCIAOW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],6,2,7.0
577,5338,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,ZIEFIDANMCIAOW-LBPRGKRZSA-N,"InChI=1S/C12H11NO2S/c1-12(15)7-16-11-9(6-14)8-4-2-3-5-10(8)13(11)12/h2-6,15H,7H2,1H3/t12-/m0/s1",C[C@]1(O)CSc2c(C=O)c3ccccc3n21,C12H11NO2S,pos_2MHCH3CN,233.051049592,ZIEFIDANMCIAOW,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Brassica campestris,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],6,2,7.0
578,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FZKBNCDAGYDHTP-OBLZSLNYSA-N,"InChI=1S/C21H20O12/c22-8-4-11(25)14-12(5-8)32-19(7-1-2-9(23)10(24)3-7)20(16(14)27)31-6-13-15(26)17(28)18(29)21(30)33-13/h1-5,13,15,17-18,21-26,28-30H,6H2/t13?,15-,17-,18+,21?/m1/s1",O=c1c(OCC2OC(O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,FZKBNCDAGYDHTP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,9.5
579,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],8,3,9.5
580,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],8,3,9.5
581,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,3,9.5
582,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,3,9.5
583,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,3,9.5
584,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],8,3,9.5
585,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,3,9.5
586,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],8,3,9.5
587,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],8,3,9.5
588,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,3,9.5
589,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,3,9.5
590,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,3,9.5
591,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,3,9.5
592,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,3,9.5
593,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,3,9.5
594,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,3,9.5
595,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,9.5
596,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],8,3,9.5
597,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
598,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,3,9.5
599,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],8,3,9.5
600,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,3,9.5
601,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,3,9.5
602,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,3,9.5
603,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,3,9.5
604,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,3,9.5
605,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],8,3,9.5
606,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,3,9.5
607,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],8,3,9.5
608,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],8,3,9.5
609,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,3,9.5
610,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],8,3,9.5
611,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,3,9.5
612,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,3,9.5
613,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,3,9.5
614,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,3,9.5
615,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,3,9.5
616,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,9.5
617,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],8,3,9.5
618,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
619,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,3,9.5
620,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],8,3,9.5
621,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],8,3,9.5
622,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],8,3,9.5
623,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,3,9.5
624,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],8,3,9.5
625,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,3,9.5
626,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],8,3,9.5
627,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,3,9.5
628,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],8,3,9.5
629,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],8,3,9.5
630,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,3,9.5
631,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,3,9.5
632,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,3,9.5
633,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,3,9.5
634,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,3,9.5
635,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],8,3,9.5
636,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],8,3,9.5
637,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],8,3,9.5
638,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia macroclada,3912086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia macroclada'],8,3,9.5
639,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia macroclada,3912086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia macroclada'],8,3,9.5
640,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,3,9.5
641,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,9.5
642,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
643,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,3,9.5
644,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,9.5
645,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
646,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,3,9.5
647,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OPJZLUXFQFQYAI-GNPVFZCLSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia marschalliana,969004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia marschalliana'],8,3,9.5
648,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,3,9.5
649,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,3,9.5
650,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
651,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],8,3,9.5
652,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,3,9.5
653,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,3,9.5
654,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,3,9.5
655,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,3,9.5
656,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],8,3,9.5
657,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],8,3,9.5
658,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,3,9.5
659,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,3,9.5
660,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,3,9.5
661,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],8,3,9.5
662,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,3,9.5
663,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],8,3,9.5
664,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],8,3,9.5
665,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,3,9.5
666,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],8,3,9.5
667,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,3,9.5
668,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,3,9.5
669,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,3,9.5
670,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,3,9.5
671,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,3,9.5
672,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,9.5
673,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],8,3,9.5
674,5337,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OPJZLUXFQFQYAI-GNPVFZCLSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,3,9.5
675,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,QDUJKDRUFBJYSQ-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10,12H,1,8-9H2,2-6H3/t15-/m1/s1",C=C[C@]1(C)CCC(=C(C)C)C=C1C(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,QDUJKDRUFBJYSQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
676,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,DGZBGCMPRYFWFF-SOUVJXGZSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14-,15+/m0/s1",C=C1CC[C@H]2C[C@@H]1[C@]2(C)CCC=C(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,DGZBGCMPRYFWFF,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
677,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,YIRAHEODBQONHI-ZQNQSHIBSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1[C@H](C(C)C)CC[C@]12C,C15H24,pos_1_minus1proton2sodium,204.187800768,YIRAHEODBQONHI,Terpenoids,Sesquiterpenoids,Bourbonane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
678,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,PDSNLYSELAIEBU-RMRHIDDWSA-N,"InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m0/s1",C=C1[C@@H]2CC[C@H]3[C@@H]2C(C)(C)CCC[C@]13C,C15H24,pos_1_minus1proton2sodium,204.187800768,PDSNLYSELAIEBU,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
679,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,JSNRRGGBADWTMC-QINSGFPZSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12-",C=CC(=C)CC/C=C(/C)CCC=C(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,JSNRRGGBADWTMC,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
680,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,XZRVRYFILCSYSP-OAHLLOKOSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,15H,4-5,7,9-11H2,1-3H3/t15-/m1/s1",C=C(CCC=C(C)C)[C@@H]1CC=C(C)CC1,C15H24,pos_1_minus1proton2sodium,204.187800768,XZRVRYFILCSYSP,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
681,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,YMBFCQPIMVLNIU-KKUMJFAQSA-N,"InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1",CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C)[C@@H]1C2,C15H24,pos_1_minus1proton2sodium,204.187800768,YMBFCQPIMVLNIU,Terpenoids,Sesquiterpenoids,Bergamotane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
682,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,WRHGORWNJGOVQY-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1",C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12,C15H24,pos_1_minus1proton2sodium,204.187800768,WRHGORWNJGOVQY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
683,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,BQSLMQNYHVFRDT-CABCVRRESA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,14H,1,4,8-10H2,2-3,5-6H3/t14-,15+/m1/s1",C=C[C@@]1(C)CCC(=C(C)C)C[C@@H]1C(=C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,BQSLMQNYHVFRDT,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
684,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,SPCXZDDGSGTVAW-XIDUGBJDSA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m1/s1",CC1=C2[C@H](CC1)[C@H](C)CC[C@@H]1[C@H]2C1(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,SPCXZDDGSGTVAW,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
685,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,QMAYBMKBYCGXDH-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1",CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@H]2C(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,QMAYBMKBYCGXDH,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
686,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,IRAQOCYXUMOFCW-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1",CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_minus1proton2sodium,204.187800768,IRAQOCYXUMOFCW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
687,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,pos_1_minus1proton2sodium,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
688,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,CXENHBSYCFFKJS-VDQVFBMKSA-N,"InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+",C=C/C(C)=C/C/C=C(\C)CCC=C(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,CXENHBSYCFFKJS,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
689,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,ITYNGVSTWVVPIC-XBIUQDLISA-N,"InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10?,11-,12+,13+,14+/m1/s1",C=C1CC[C@H]2[C@@H]([C@H]3C(C)CC[C@H]13)C2(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,ITYNGVSTWVVPIC,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
690,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,OPFTUNCRGUEPRZ-QLFBSQMISA-N,"InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1",C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,OPFTUNCRGUEPRZ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
691,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,DYLPEFGBWGEFBB-OSFYFWSMSA-N,"InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1",C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C,C15H24,pos_1_minus1proton2sodium,204.187800768,DYLPEFGBWGEFBB,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
692,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,FSRZGYRCMPZNJF-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13-,14-,15+/m1/s1",C=C1CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_minus1proton2sodium,204.187800768,FSRZGYRCMPZNJF,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
693,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,PHWISBHSBNDZDX-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15+/m0/s1",C=C1C=C[C@@H]([C@@H](C)CCC=C(C)C)CC1,C15H24,pos_1_minus1proton2sodium,204.187800768,PHWISBHSBNDZDX,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
694,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,XUEHVOLRMXNRKQ-KHMAMNHCSA-N,"InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1",CC1=CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C,C15H24,pos_1_minus1proton2sodium,204.187800768,XUEHVOLRMXNRKQ,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
695,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,NPNUFJAVOOONJE-GFUGXAQUSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1",C=C1CC/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,NPNUFJAVOOONJE,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
696,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,VPDZRSSKICPUEY-JEPMYXAXSA-N,"InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6+,12-10+/t13-,14+/m1/s1",C/C1=C\[C@H]2[C@@H](CC/C(C)=C/CC1)C2(C)C,C15H24,pos_1_minus1proton2sodium,204.187800768,VPDZRSSKICPUEY,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
697,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,GXEGJTGWYVZSNR-SJRHNVSNSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+",CC(C)=C1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_minus1proton2sodium,204.187800768,GXEGJTGWYVZSNR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
698,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,FUCYIEXQVQJBKY-ZFWWWQNUSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3/t13-,15-/m0/s1",CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)CC1,C15H24,pos_1_minus1proton2sodium,204.187800768,FUCYIEXQVQJBKY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
699,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,XMRKUJJDDKYUHV-SDFJSLCBSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2,2-4H3/b13-6+,14-9+/t15-/m0/s1",C=C(C)[C@@H]1C/C=C(\C)CC/C=C(\C)CC1,C15H24,pos_1_minus1proton2sodium,204.187800768,XMRKUJJDDKYUHV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
700,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,FAMPSKZZVDUYOS-HRGUGZIWSA-N,"InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+",C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1,C15H24,pos_1_minus1proton2sodium,204.187800768,FAMPSKZZVDUYOS,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
701,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,RMZHSBMIZBMVMN-LSDHHAIUSA-N,"InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h14H,3,5-10H2,1-2,4H3/t14-,15+/m0/s1",C=C1CCC[C@]2(C)CCC(=C(C)C)C[C@@H]12,C15H24,pos_1_minus1proton2sodium,204.187800768,RMZHSBMIZBMVMN,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
702,5336,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,GAIBLDCXCZKKJE-RXJOXMPGSA-N,"InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1",C=C1/C=C/[C@H](C(C)C)CC/C(C)=C/CC1,C15H24,pos_1_minus1proton2sodium,204.187800768,GAIBLDCXCZKKJE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
703,5333,-1,,,,0.4060192,ISDB,ZYXVLDARKUDRLP-TWXQUNJUSA-N,"InChI=1S/C27H42O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)24(6)18-27(25)29/h10,12,14,16,18,25,27,29H,7-9,11,13,15,17,19H2,1-6H3/b21-12+,22-14+,23-16+/t25-,27+/m0/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@H]1CC(=O)C(C)=C[C@H]1O,C27H42O2,,398.318480584,ZYXVLDARKUDRLP,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Rolandia coralloides,5676142.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Clavulariidae'],['Unknown'],['Rolandia'],['Rolandia coralloides'],2,0,3.6240768432617188
704,5330,258,Amino acids and Peptides,Small peptides,Dipeptides,0.51495993,ISDB,,,,,,,JMACEDIUUMWDIC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0598397254943848
705,5329,-1,,,,0.0,MS1_match,USVMJSALORZVDV-ZFVXVEAMSA-N,"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11+,12+,15+/m1/s1",CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,C15H21N5O4,pos_1_1sodium1acetonitrile,335.159354152,USVMJSALORZVDV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
706,5329,-1,,,,0.0,MS1_match,USVMJSALORZVDV-ZFVXVEAMSA-N,"InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11+,12+,15+/m1/s1",CC(C)=CCNc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O,C15H21N5O4,pos_1_1sodium1acetonitrile,335.159354152,USVMJSALORZVDV,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
707,5328,517,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.0,MS1_match,VJHBTCCKVUQBRP-OXJNMPFZSA-N,"InChI=1S/C20H22O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,20-24H,5,10H2,1-2H3/t16-,20+/m0/s1",CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3[C@H]2O)c1O,C20H22O5,pos_2MFe,342.146723804,VJHBTCCKVUQBRP,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5
708,5327,-1,,,,0.0,MS1_match,WYACBZDAHNBPPB-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3",CCOC(=O)C(=O)OCC,C6H10O4,pos_1_1proton1acetonitrile,146.0579088,WYACBZDAHNBPPB,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
709,5322,590,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FMMYTMPRUGLGBL-SCQFTWEKSA-N,"InChI=1S/C5H7NO4/c7-3-1-2(5(9)10)6-4(3)8/h2-3,7H,1H2,(H,6,8)(H,9,10)/t2-,3?/m0/s1",O=C1N[C@H](C(=O)O)CC1O,C5H7NO4,pos_1_1proton1ammonium,145.037507704,FMMYTMPRUGLGBL,Amino acids and Peptides,Small peptides,Aminoacids,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],7,3,8.5
710,5320,-1,,,,0.0,MS1_match,LDVUQCXIQALIRF-RGCFCEDLSA-N,"InChI=1S/C21H26O11/c1-9-6-7-30-20(29)18(9)31-21-17(28)15(26)16(27)19(32-21)14(25)12(23)5-3-10-2-4-11(22)13(24)8-10/h2-5,8-9,14-19,21-22,24-28H,6-7H2,1H3/b5-3+/t9?,14?,15-,16-,17+,18?,19+,21?/m0/s1",CC1CCOC(=O)C1OC1O[C@H](C(O)C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_2MCa,454.1475116519999,LDVUQCXIQALIRF,Shikimates and Phenylpropanoids,,,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,0,8.0
711,5319,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.41238886,ISDB,BEHRYCYNRCQBOK-GEEKYZPCSA-N,"InChI=1S/C16H33NO2/c1-4-7-15(18)11-13-9-6-10-14(17(13)3)12-16(19)8-5-2/h13-16,18-19H,4-12H2,1-3H3/t13-,14+,15-,16+",CCC[C@@H](O)C[C@H]1CCC[C@@H](C[C@@H](O)CCC)N1C,C16H33NO2,,271.251129296,BEHRYCYNRCQBOK,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Siphocampylus verticillatus,3892682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Siphocampylus'],['Siphocampylus verticillatus'],4,3,7.149555444717407
712,5319,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.41238886,ISDB,BEHRYCYNRCQBOK-SYMSYNOKSA-N,"InChI=1S/C16H33NO2/c1-4-7-15(18)11-13-9-6-10-14(17(13)3)12-16(19)8-5-2/h13-16,18-19H,4-12H2,1-3H3/t13-,14+,15+,16-",CCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CCC)N1C,C16H33NO2,,271.251129296,BEHRYCYNRCQBOK,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Dialypetalum floribundum,3893939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Dialypetalum'],['Dialypetalum floribundum'],4,3,7.149555444717407
713,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,3,8.5
714,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-ZQJJHTFWSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,3,8.5
715,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-ZQJJHTFWSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,3,8.5
716,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-ZQJJHTFWSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Psephellus huber-morathii,3894439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus huber-morathii'],7,3,8.5
717,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,3,8.5
718,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,3,8.5
719,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,3,8.5
720,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,3,8.5
721,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],7,3,8.5
722,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea nigra,717413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nigra'],7,3,8.5
723,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea sclerolepis,569821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sclerolepis'],7,3,8.5
724,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,3,8.5
725,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,3,8.5
726,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
727,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FWRZDNFXFFWBGP-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-14(3-5-17(19)28)8-16-15(12-35-25(16)32)7-13-4-6-18(20(10-13)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439998,FWRZDNFXFFWBGP,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,3,8.5
728,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,FWRZDNFXFFWBGP-ZQJJHTFWSA-N,"InChI=1S/C26H32O11/c1-33-19-9-14(3-5-17(19)28)8-16-15(12-35-25(16)32)7-13-4-6-18(20(10-13)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1",COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439998,FWRZDNFXFFWBGP,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
729,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-UHFFFAOYSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3",COc1cc(CC2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,3,8.5
730,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea sclerolepis,569821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sclerolepis'],7,3,8.5
731,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
732,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-UHFFFAOYSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3",COc1cc(CC2COC(=O)C2Cc2ccc(OC3OC(CO)C(O)C(O)C3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,3,8.5
733,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea nigra,717413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nigra'],7,3,8.5
734,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-ZQJJHTFWSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,3,8.5
735,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-ZQJJHTFWSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Psephellus huber-morathii,3894439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus huber-morathii'],7,3,8.5
736,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-ZQJJHTFWSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21-,22-,23+,24-,26-/m1/s1",COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,3,8.5
737,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,3,8.5
738,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,3,8.5
739,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],7,3,8.5
740,5318,314,Shikimates and Phenylpropanoids,Flavonoids,Dibenzylbutyrolactone lignans,0.0,MS1_match,AAGCATAPYOEULE-LHHMAMHXSA-N,"InChI=1S/C26H32O11/c1-33-19-9-13(3-5-17(19)28)7-15-12-35-25(32)16(15)8-14-4-6-18(20(10-14)34-2)36-26-24(31)23(30)22(29)21(11-27)37-26/h3-6,9-10,15-16,21-24,26-31H,7-8,11-12H2,1-2H3/t15-,16+,21+,22+,23-,24+,26+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.1944618439999,AAGCATAPYOEULE,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,3,8.5
741,5315,124,Fatty acids,Fatty amides,Primary amides,0.64265114,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,3,8.0706045627594
742,5314,-1,,,,0.0,MS1_match,WLJVNTCWHIRURA-UHFFFAOYSA-N,"InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)",O=C(O)CCCCCC(=O)O,C7H12O4,pos_2MH,160.073558864,WLJVNTCWHIRURA,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
743,5313,1414,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FDUMKOUWARULGH-DLJARKJQSA-N,"InChI=1S/C35H46O20/c1-48-21-11-15(3-6-18(21)39)4-7-24(42)53-30-23(13-37)52-35(49-9-8-16-2-5-17(38)19(40)10-16)32(55-33-28(46)25(43)20(41)14-50-33)31(30)54-34-29(47)27(45)26(44)22(12-36)51-34/h2-7,10-11,20,22-23,25-41,43-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O,C35H46O20,pos_1_1proton1ethylamine,786.258243872,FDUMKOUWARULGH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
744,5313,1414,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LKZNLGSMAMRYPE-WHZLBBPDSA-N,"InChI=1S/C35H46O20/c1-14-24(43)26(45)28(47)33(50-14)54-31-30(53-23(42)7-4-15-2-5-17(38)19(40)10-15)22(13-37)52-35(49-9-8-16-3-6-18(39)20(41)11-16)32(31)55-34-29(48)27(46)25(44)21(12-36)51-34/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ethylamine,786.258243872,LKZNLGSMAMRYPE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica pectinata,91029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pectinata'],8,3,9.5
745,5313,1414,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BKESKOXPMZUPRR-MSUWPPSTSA-N,"InChI=1S/C35H46O20/c1-14-31(55-35-28(46)25(43)24(42)21(12-36)52-35)26(44)29(47)34(51-14)50-13-22-32(54-23(41)7-4-15-2-5-17(37)19(39)10-15)27(45)30(48)33(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ethylamine,786.2582438720001,BKESKOXPMZUPRR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,3,9.5
746,5313,1414,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OCSRFYYLDUASCY-WVTGFULCSA-N,"InChI=1S/C35H46O20/c1-48-21-11-15(3-6-18(21)38)4-7-24(41)50-14-23-27(44)31(54-34-30(47)28(45)26(43)22(12-36)52-34)32(55-33-29(46)25(42)20(40)13-51-33)35(53-23)49-9-8-16-2-5-17(37)19(39)10-16/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)ccc1O,C35H46O20,pos_1_1proton1ethylamine,786.258243872,OCSRFYYLDUASCY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
747,5313,1414,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NATCYWOQXLKDNI-WVTGFULCSA-N,"InChI=1S/C35H46O20/c1-48-21-6-3-16(11-19(21)39)8-9-49-35-32(55-33-29(46)25(42)20(40)13-51-33)31(54-34-30(47)28(45)26(43)22(12-36)52-34)27(44)23(53-35)14-50-24(41)7-4-15-2-5-17(37)18(38)10-15/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m1/s1",COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1O,C35H46O20,pos_1_1proton1ethylamine,786.258243872,NATCYWOQXLKDNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
748,5312,-1,,,,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_1_1proton1ethylamine,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
749,5312,-1,,,,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_1_1proton1ethylamine,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
750,5311,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9779652,ISDB,,,,,,,JUAQYRSUSCWTQK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.911860704421997
751,5310,-1,,,,0.41907397,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],1,0,2.6762958765029907
752,5310,-1,,,,0.41907397,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],1,0,2.6762958765029907
753,5310,-1,,,,0.41907397,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],1,0,2.6762958765029907
754,5309,-1,,,,0.21360917,ISDB,ZTRSVJILTKDCGR-IHWVXMPCSA-N,"InChI=1S/C15H18O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,10-13,17H,1-3,6H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O,C15H18O4,,262.120509056,ZTRSVJILTKDCGR,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.854436695575714
755,5308,-1,,,,0.51597184,ISDB,VSHUQLRHTJOKTA-XBXARRHUSA-N,"InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+",O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccc(O)cc1,C17H17NO4,,299.115758024,VSHUQLRHTJOKTA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.063887357711792
756,5304,517,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.4855566,ISDB,ITENTBHADJNDDH-DJTMHQFBSA-N,"InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1",O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O9,,352.079432092,ITENTBHADJNDDH,Shikimates and Phenylpropanoids,,,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],4,1,6.442226409912109
757,5302,645,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",0.0,MS1_match,RSVFJNWBMXVMGE-LXQXRHSASA-N,"InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1,C40H54O3,pos_1_1proton,582.407295588,RSVFJNWBMXVMGE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
758,5301,471,Fatty acids,Sphingolipids,Sphingoid bases,0.62541056,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],1,3,5.001642227172852
759,5301,471,Fatty acids,Sphingolipids,Sphingoid bases,0.62541056,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],1,3,5.001642227172852
760,5299,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-GJZGRUSLSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15-/m0/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
761,5299,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1potassium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
762,5299,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1potassium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
763,5298,18,Alkaloids,Ornithine alkaloids,Polyamines,0.52655596,ISDB,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.606223821640015
764,5297,124,Fatty acids,Fatty amides,Primary amides,0.83357334,ISDB,BKSKLPMHTCDKMA-YYIAUSFCSA-N,"InChI=1S/C17H33NO/c1-3-5-6-8-16-14(4-2)13-15(10-12-19)17-9-7-11-18(16)17/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1",CCCCC[C@@H]1[C@H](CC)C[C@H](CCO)[C@H]2CCCN12,C17H33NO,,267.256214676,BKSKLPMHTCDKMA,Alkaloids,Lysine alkaloids,Indolizidine alkaloids,Oophaga pumilio,891119.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga pumilio'],0,0,3.3342933654785156
765,5296,-1,,,,0.0,MS1_match,WTBQQQTYLMSFSB-SUMZXCHUSA-N,"InChI=1S/C16H23NO3/c1-9-5-6-13(18)12-8-16(20-4)11(7-15(9,12)3)10(2)14(19)17-16/h9,12H,5-8H2,1-4H3,(H,17,19)/t9-,12?,15+,16-/m0/s1",CO[C@@]12CC3C(=O)CC[C@H](C)[C@@]3(C)CC1=C(C)C(=O)N2,C16H23NO3,pos_2MFe,277.167793596,WTBQQQTYLMSFSB,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio aegyptius,487316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio aegyptius'],6,0,6.0
766,5294,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.65148526,ISDB,ADTVXWWEQNJMHD-LXHROKJGSA-N,"InChI=1S/C25H46N6O2/c1-3-4-5-6-7-8-9-12-19-17-20-13-14-21-22(18(2)29-25(30-19)31(20)21)23(32)33-16-11-10-15-28-24(26)27/h18-22H,3-17H2,1-2H3,(H,29,30)(H4,26,27,28)/t18-,19-,20+,21+,22-/m1/s1",CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H](C(=O)OCCCCNC(=N)N)[C@@H](C)N=C(N1)N23,C25H46N6O2,,462.368224712,ADTVXWWEQNJMHD,Alkaloids,Guanidine alkaloids,Tricyclic guanidine alkaloids,Batzella,2840945.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Chondropsidae'],['Unknown'],['Batzella'],['Unknown'],2,0,4.6059410572052
767,5293,-1,,,,0.5959435,ISDB,XWKFUHRLLPQKDR-UHFFFAOYSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-10-16(19)11-8-7-9-15-12-13-17(20)18(21)14-15/h12-14,20-21H,2-11H2,1H3",CCCCCCCC(=O)CCCCc1ccc(O)c(O)c1,C18H28O3,,292.203844756,XWKFUHRLLPQKDR,Polyketides,Aromatic polyketides,Catechols with side chains,Capitanopsis albida,6084167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Capitanopsis'],['Capitanopsis albida'],5,0,7.383774042129517
768,5292,441,Alkaloids,,,0.49443293,ISDB,WTGXAWKVZMQEDA-FYPHCDFOSA-N,"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O,C15H19NO10,,373.100895808,WTGXAWKVZMQEDA,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,1,8.477731704711914
769,5291,396,Alkaloids,Ornithine alkaloids,Polyamines,0.49187115,ISDB,XMZKGYUPPWJMNS-RMKNXTFCSA-N,"InChI=1S/C16H25N3O2/c17-10-3-12-18-11-1-2-13-19-16(21)9-6-14-4-7-15(20)8-5-14/h4-9,18,20H,1-3,10-13,17H2,(H,19,21)/b9-6+",NCCCNCCCCNC(=O)/C=C/c1ccc(O)cc1,C16H25N3O2,,291.19467704,XMZKGYUPPWJMNS,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],1,3,4.4674845933914185
770,5290,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.21515398,ISDB,VWLQTJPASTUQRU-PDSBHGERSA-N,"InChI=1S/C21H28O6S/c1-12-6-7-15(26-14(3)22)17-18(27-16(23)8-9-28-5)21(11-20(12,17)4)13(2)10-25-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+/m0/s1",C=C1COC(=O)[C@]12C[C@@]1(C)[C@H]([C@@H](OC(C)=O)CC[C@@H]1C)[C@H]2OC(=O)/C=C\SC,C21H28O6S,,408.160659616,VWLQTJPASTUQRU,Terpenoids,Sesquiterpenoids,Fukinane sesquiterpenoids,Petasites formosanus,5921037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites formosanus'],4,2,5.860615909099579
771,5289,-1,,,,0.0,MS1_match,ZWZHMUVNNKKVBT-INIZCTEOSA-N,"InChI=1S/C22H24O7/c1-6-15-10(4)18(24)14(22(27)29-15)7-12-19(25)17(11(5)23)20(26)13-8-16(9(2)3)28-21(12)13/h16,24-26H,2,6-8H2,1,3-5H3/t16-/m0/s1",C=C(C)[C@@H]1Cc2c(O)c(C(C)=O)c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c2O1,C22H24O7,pos_1_1proton,400.152203108,ZWZHMUVNNKKVBT,Polyketides,,,Helichrysum italicum,54015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum italicum'],6,0,6.0
772,5289,-1,,,,0.0,MS1_match,OLXJPSQTGFDEJN-RDELFYGPSA-N,"InChI=1S/C19H16O6/c1-16(20)23-14-12-10-8-6-4-5-7-9-11-13-19(25-18(3)22)15-24-17(2)21/h10,12,19H,14-15H2,1-3H3/b12-10+/t19-/m0/s1",CC(=O)OC/C=C/C#CC#CC#CC#C[C@@H](COC(C)=O)OC(C)=O,C19H16O6,pos_1_1proton1isopropanol,340.094688232,OLXJPSQTGFDEJN,Fatty acids,Fatty esters,Wax diesters,Bidens,759041.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Unknown'],6,0,6.0
773,5289,-1,,,,0.0,MS1_match,XJNYOFXGMISJPS-YOYBCKCWSA-N,"InChI=1S/C19H16O6/c1-24-18(22)10-5-13-2-7-15(8-3-13)25-19(23)11-6-14-4-9-16(20)17(21)12-14/h2-12,20-21H,1H3/b10-5+,11-6+",COC(=O)/C=C/c1ccc(OC(=O)/C=C/c2ccc(O)c(O)c2)cc1,C19H16O6,pos_1_1proton1isopropanol,340.094688232,XJNYOFXGMISJPS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ligularia vellerea,119949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia vellerea'],6,0,6.0
774,5289,-1,,,,0.0,MS1_match,ZIUSSTSXXLLKKK-KOBPDPAPSA-N,"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-",COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C21H20O6,pos_1_1proton1methanol,368.1259883599999,ZIUSSTSXXLLKKK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],6,0,6.0
775,5289,-1,,,,0.0,MS1_match,ZIUSSTSXXLLKKK-KOBPDPAPSA-N,"InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-",COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C21H20O6,pos_1_1proton1methanol,368.1259883599999,ZIUSSTSXXLLKKK,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],6,0,6.0
776,5289,-1,,,,0.0,MS1_match,XDDUYHWIRGRNAR-UHFFFAOYSA-N,"InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-18-19(20(13)24)21(25)14(10-27-18)12-5-7-15(22)17(8-12)26-3/h4-5,7-10,22-24H,6H2,1-3H3",COc1cc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)ccc1O,C21H20O6,pos_1_1proton1methanol,368.12598836,XDDUYHWIRGRNAR,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Wyethia angustifolia,1010702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wyethia'],['Wyethia angustifolia'],6,0,6.0
777,5289,-1,,,,0.0,MS1_match,OZVILOLUKCJYAQ-UHFFFAOYSA-N,"InChI=1S/C21H20O6/c1-11(2)4-6-13-16(23)9-17(24)19-20(25)14(10-27-21(13)19)12-5-7-15(22)18(8-12)26-3/h4-5,7-10,22-24H,6H2,1-3H3",COc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)ccc1O,C21H20O6,pos_1_1proton1methanol,368.12598836,OZVILOLUKCJYAQ,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Wyethia mollis,383479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wyethia'],['Wyethia mollis'],6,0,6.0
778,5289,-1,,,,0.0,MS1_match,OBWXJUKMULORIR-UHFFFAOYSA-N,"InChI=1S/C21H20O6/c1-21(2)19(27-21)11-25-14-8-17(24-3)20-15(23)10-16(26-18(20)9-14)12-4-6-13(22)7-5-12/h4-10,19,22H,11H2,1-3H3",COc1cc(OCC2OC2(C)C)cc2oc(-c3ccc(O)cc3)cc(=O)c12,C21H20O6,pos_1_1proton1methanol,368.12598836,OBWXJUKMULORIR,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Achyrocline flaccida,531781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Achyrocline'],['Achyrocline flaccida'],6,0,6.0
779,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Podolepis canescens,918574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis canescens'],6,0,6.0
780,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Podolepis lessonii,596837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis lessonii'],6,0,6.0
781,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],6,0,6.0
782,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Lychnophora ericoides,1089135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Lychnophora'],['Lychnophora ericoides'],6,0,6.0
783,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Podolepis canescens,918574.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis canescens'],6,0,6.0
784,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Podolepis lessonii,596837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis lessonii'],6,0,6.0
785,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],6,0,6.0
786,5289,-1,,,,0.0,MS1_match,GMLDZDDTZKXJLU-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,GMLDZDDTZKXJLU,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Lychnophora ericoides,1089135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Lychnophora'],['Lychnophora ericoides'],6,0,6.0
787,5289,-1,,,,0.0,MS1_match,ZMXYPQXDEWMCIE-UHFFFAOYSA-N,"InChI=1S/C22H24O7/c1-12-15(27-13(2)23)9-20(4)19(3)6-7-22(20,29-17(19)24)21(12)10-16(28-18(21)25)14-5-8-26-11-14/h5,8,11,15-16H,1,6-7,9-10H2,2-4H3",C=C1C(OC(C)=O)CC2(C)C3(C)CCC2(OC3=O)C12CC(c1ccoc1)OC2=O,C22H24O7,pos_1_1proton,400.152203108,ZMXYPQXDEWMCIE,Terpenoids,Diterpenoids,,Microglossa pyrrhopappa,1008392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza pyrrhopappa'],6,0,6.0
788,5289,-1,,,,0.0,MS1_match,KYVGHZVXDKILHW-JFZMWORHSA-N,"InChI=1S/C22H24O7/c1-9-7-8-14-10(2)17(28-21(25)22(6)12(4)29-22)19(26-13(5)23)16-11(3)20(24)27-18(16)15(9)14/h7-8,12,16-19H,3H2,1-2,4-6H3/t12-,16+,17-,18-,19-,22+/m1/s1",C=C1C(=O)O[C@@H]2C3=C(C)C=CC3=C(C)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@H](OC(C)=O)[C@@H]12,C22H24O7,pos_1_1proton,400.152203108,KYVGHZVXDKILHW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Heliopsis helianthoides,661690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],6,0,6.0
789,5289,-1,,,,0.0,MS1_match,OLXJPSQTGFDEJN-UHFFFAOYSA-N,"InChI=1S/C19H16O6/c1-16(20)23-14-12-10-8-6-4-5-7-9-11-13-19(25-18(3)22)15-24-17(2)21/h10,12,19H,14-15H2,1-3H3",CC(=O)OCC=CC#CC#CC#CC#CC(COC(C)=O)OC(C)=O,C19H16O6,pos_1_1proton1isopropanol,340.094688232,OLXJPSQTGFDEJN,Fatty acids,Fatty esters,Wax diesters,Bidens bipinnata,3899696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Bidens'],['Bidens bipinnata'],6,0,6.0
790,5289,-1,,,,0.0,MS1_match,GCDJINODTXYWBW-PVGZCFLPSA-N,"InChI=1S/C22H24O7/c1-12-5-6-17(27-15(4)23)13(2)10-19-20(14(3)21(24)28-19)18(9-12)29-22(25)16-7-8-26-11-16/h5,7-8,10-11,17-20H,3,6,9H2,1-2,4H3/b12-5+,13-10-/t17-,18+,19-,20+/m0/s1",C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)c3ccoc3)[C@@H]12,C22H24O7,pos_1_1proton,400.152203108,GCDJINODTXYWBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Schkuhria pinnata,685032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Schkuhria'],['Schkuhria pinnata'],6,0,6.0
791,5289,-1,,,,0.0,MS1_match,YNXPTIDORKSKGE-INIZCTEOSA-N,"InChI=1S/C19H16O6/c20-12-5-4-10(7-13(12)21)16-9-15(23)17-14(22)8-11-3-1-2-6-24-18(11)19(17)25-16/h1,3-5,7-8,16,20-22H,2,6,9H2/t16-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2c3c(cc(O)c21)C=CCCO3,C19H16O6,pos_1_1proton1isopropanol,340.094688232,YNXPTIDORKSKGE,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Wyethia mollis,383479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wyethia'],['Wyethia mollis'],6,0,6.0
792,5289,-1,,,,0.0,MS1_match,PZXSKZHBJCBTDD-LEWJYISDSA-N,"InChI=1S/C22H24O7/c1-11(2)5-7-13-16(27-3)10-15(24)18-19(25)20(26)21(29-22(13)18)12-6-8-14(23)17(9-12)28-4/h5-6,8-10,20-21,23-24,26H,7H2,1-4H3/t20-,21+/m0/s1",COc1cc([C@H]2Oc3c(CC=C(C)C)c(OC)cc(O)c3C(=O)[C@@H]2O)ccc1O,C22H24O7,pos_1_1proton,400.1522031079999,PZXSKZHBJCBTDD,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Flourensia riparia,7605029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Flourensia'],['Flourensia riparia'],6,0,6.0
793,5289,-1,,,,0.0,MS1_match,ZWZHMUVNNKKVBT-UHFFFAOYSA-N,"InChI=1S/C22H24O7/c1-6-15-10(4)18(24)14(22(27)29-15)7-12-19(25)17(11(5)23)20(26)13-8-16(9(2)3)28-21(12)13/h16,24-26H,2,6-8H2,1,3-5H3",C=C(C)C1Cc2c(O)c(C(C)=O)c(O)c(Cc3c(O)c(C)c(CC)oc3=O)c2O1,C22H24O7,pos_1_1proton,400.152203108,ZWZHMUVNNKKVBT,Polyketides,,,Helichrysum stoechas,323167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum stoechas'],6,0,6.0
794,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia nitrosa,1000316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia nitrosa'],6,0,6.0
795,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia schischkinii,7050959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia schischkinii'],6,0,6.0
796,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],6,0,6.0
797,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Achillea holosericea,921036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea holosericea'],6,0,6.0
798,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],6,0,6.0
799,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia gorgonum,821694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gorgonum'],6,0,6.0
800,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia argentea,1081054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argentea'],6,0,6.0
801,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-YJPXFSGGSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21-/m0/s1",COc1cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia sieversiana,154471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia sieversiana'],6,0,6.0
802,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia nitrosa,1000316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia nitrosa'],6,0,6.0
803,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia schischkinii,7050959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia schischkinii'],6,0,6.0
804,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],6,0,6.0
805,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Achillea holosericea,921036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea holosericea'],6,0,6.0
806,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia absinthium,707473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia absinthium'],6,0,6.0
807,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia gorgonum,821694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gorgonum'],6,0,6.0
808,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-VUEDXXQZSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.1522031079999,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia argentea,1081054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia argentea'],6,0,6.0
809,5289,-1,,,,0.0,MS1_match,ONDWGDNAFRAXCN-YJPXFSGGSA-N,"InChI=1S/C22H24O7/c1-23-18-7-13(8-19(24-2)22(18)25-3)21-15-10-26-20(14(15)9-27-21)12-4-5-16-17(6-12)29-11-28-16/h4-8,14-15,20-21H,9-11H2,1-3H3/t14-,15-,20+,21-/m0/s1",COc1cc([C@@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,ONDWGDNAFRAXCN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia sieversiana,154471.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia sieversiana'],6,0,6.0
810,5289,-1,,,,0.0,MS1_match,BTIIMTBXBCEZPA-HNNXBMFYSA-N,"InChI=1S/C19H16O6/c20-12-5-4-10(7-13(12)21)15-8-14(22)18-17(25-15)9-16-11(19(18)23)3-1-2-6-24-16/h1,3-5,7,9,15,20-21,23H,2,6,8H2/t15-/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc3c(c(O)c21)C=CCCO3,C19H16O6,pos_1_1proton1isopropanol,340.094688232,BTIIMTBXBCEZPA,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Wyethia mollis,383479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wyethia'],['Wyethia mollis'],6,0,6.0
811,5289,-1,,,,0.0,MS1_match,HHRGVAZECZEYPH-JKSUJKDBSA-N,"InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)6-15-11-27-22(23)16(15)7-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1",COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc3c(c2)OCO3)cc(OC)c1OC,C22H24O7,pos_1_1proton,400.152203108,HHRGVAZECZEYPH,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Lychnophora ericoides,1089135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Lychnophora'],['Lychnophora ericoides'],6,0,6.0
812,5288,495,Terpenoids,Steroids,Cholestane steroids,0.3526117,ISDB,RUSSPKPUXDSHNC-DDPQNLDTSA-N,"InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9-10,19,21,23-25,28H,6,8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1",CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O,,382.3235659639999,RUSSPKPUXDSHNC,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,6.910446763038635
813,5285,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.84595436,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.883817434310913
814,5280,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.637314,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.549256086349487
815,5279,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,AMVINSXYOHNVTD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-6-4-11(10-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1ccc(C=CC(=O)NCCCCN)cc1O,C14H20N2O3,pos_2MH,264.1473925,AMVINSXYOHNVTD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
816,5279,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,pos_2MH,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
817,5277,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.64600694,ISDB,YNNQTVPKSXTDCK-SABUVIKOSA-N,"InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,13-14,17-18,20H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t17-,18+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@H](C)N,C18H31NO,,277.240564612,YNNQTVPKSXTDCK,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],0,1,3.0840277671813965
818,5276,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.2774099,ISDB,ZSISCNCQVRABBK-JOCBIADPSA-N,"InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h11,14-15H,4-10H2,1-3H3/t14-,15-,17-,18-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=O)C=C3CC[C@H]21,C18H26O3,,290.188194692,ZSISCNCQVRABBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Agathis macrophylla,1020069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Araucariaceae'],['Unknown'],['Agathis'],['Agathis macrophylla'],1,3,3.6096396446228027
819,5275,342,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,CZLBBFWEMIWQQB-NNUBVHJDSA-N,"InChI=1S/C18H34O11/c1-8(2)4-3-5-26-17-15(24)14(23)12(21)10(29-17)7-27-18-16(25)13(22)11(20)9(6-19)28-18/h8-25H,3-7H2,1-2H3/t9-,10-,11-,12-,13+,14+,15-,16-,17-,18-/m1/s1",CC(C)CCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C18H34O11,pos_1_1proton1acetonitrile,426.210111908,CZLBBFWEMIWQQB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
820,5274,-1,,,,0.56636375,ISDB,LXMCDWFRMKYSHE-ZZXKWVIFSA-N,"InChI=1S/C13H18N2O4/c14-7-11(17)12(18)8-15-13(19)6-3-9-1-4-10(16)5-2-9/h1-6,11-12,16-18H,7-8,14H2,(H,15,19)/b6-3+",NCC(O)C(O)CNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O4,,266.126657056,LXMCDWFRMKYSHE,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],4,0,6.265455007553101
821,5273,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.2859255,ISDB,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,10.643702030181885
822,5272,1080,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.58379644,ISDB,CJGRGYBLAHPYOM-HOLMNUNMSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,,310.1052529159999,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ligustrum vulgare,597434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Ligustrum'],['Ligustrum vulgare'],5,3,8.835185766220093
823,5271,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7416115,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.966445922851562
824,5270,-1,,,,0.32725826,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Ekebergia capensis,481694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Ekebergia'],['Ekebergia capensis'],4,0,5.309033036231995
825,5270,-1,,,,0.32725826,ISDB,OIYMSAOAFKGCMV-QSAVFGIQSA-N,"InChI=1S/C28H40O3/c1-18(29)31-24-16-23-25(2,3)12-7-13-27(23,5)22-10-14-26(4)20(19-11-15-30-17-19)8-9-21(26)28(22,24)6/h7,11,13,15,17,20-24H,8-10,12,14,16H2,1-6H3/t20-,21-,22-,23+,24-,26-,27-,28+/m1/s1",CC(=O)O[C@@H]1C[C@H]2C(C)(C)CC=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](c4ccoc4)CC[C@H]3[C@@]21C,C28H40O3,,424.29774514,OIYMSAOAFKGCMV,Terpenoids,Triterpenoids,Limonoids,Bergia capensis,5922089.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Elatinaceae'],['Unknown'],['Bergia'],['Bergia capensis'],4,0,5.309033036231995
826,5268,348,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.74341124,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.473644971847534
827,5268,348,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.74341124,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.473644971847534
828,5267,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
829,5267,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],6,1,6.5
830,5267,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],6,1,6.5
831,5267,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
832,5267,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],6,1,6.5
833,5267,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,pos_1_1proton1ammonium,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],6,1,6.5
834,5266,1089,,,,0.49332327,ISDB,,,,,,,FJDVENKXPUIXRG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9732930660247803
835,5265,-1,,,,0.0,MS1_match,WLUANEBAAWEMAJ-JTEREUJISA-N,"InChI=1S/C23H20O12/c1-33-17-11-13(3-7-15(17)25)5-9-19(28)35-21(23(31)32)20(22(29)30)34-18(27)8-4-12-2-6-14(24)16(26)10-12/h2-11,20-21,24-26H,1H3,(H,29,30)(H,31,32)/b8-4+,9-5+/t20-,21+/m1/s1",COc1cc(/C=C/C(=O)O[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)ccc1O,C23H20O12,pos_1_1proton1acetonitrile,488.09547608,WLUANEBAAWEMAJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],6,0,6.0
836,5265,-1,,,,0.0,MS1_match,WLUANEBAAWEMAJ-MBZDOXFASA-N,"InChI=1S/C23H20O12/c1-33-17-11-13(3-7-15(17)25)5-9-19(28)35-21(23(31)32)20(22(29)30)34-18(27)8-4-12-2-6-14(24)16(26)10-12/h2-11,20-21,24-26H,1H3,(H,29,30)(H,31,32)/b8-4+,9-5+/t20-,21-/m1/s1",COc1cc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)ccc1O,C23H20O12,pos_1_1proton1acetonitrile,488.09547608,WLUANEBAAWEMAJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],6,0,6.0
837,5263,-1,,,,0.0,MS1_match,YUDPTGPSBJVHCN-YJUJGKJLSA-N,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16?/m1/s1",Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C16H18O8,pos_1_1potassium,338.100167536,YUDPTGPSBJVHCN,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
838,5261,-1,,,,0.0,MS1_match,SFNFQCXADNWOCI-KETMJRJWSA-N,"InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1sodium,594.15847026,SFNFQCXADNWOCI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
839,5261,-1,,,,0.0,MS1_match,FIAAVMJLAGNUKW-KZBKGRIKSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18+,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1sodium,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
840,5260,290,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.22859639,ISDB,NYGZYUAVZPIKBZ-ZBEGNZNMSA-N,"InChI=1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1",COc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21,C16H14O5,,286.084123548,NYGZYUAVZPIKBZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Megaselia flavescens,4346252.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Phoridae'],['Megaseliini'],['Megaselia'],['Megaselia flavescens'],4,3,6.414385557174683
841,5259,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-LSSWKVNRSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3-/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia dubia,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
842,5259,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-TVKJYDDYSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/t10-,12-,13+,14-,15-/m1/s1",O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia velutina,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
843,5259,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-LSSWKVNRSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3-/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia dubia,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
844,5259,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-TVKJYDDYSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/t10-,12-,13+,14-,15-/m1/s1",O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia velutina,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
845,5258,-1,,,,0.0,MS1_match,CILZKZHKUCDCRP-RAHDRTFYSA-N,"InChI=1S/C20H24O6/c1-9(5-6-21)19(23)25-15-7-10(2)13-8-14(22)11(3)16(13)18-17(15)12(4)20(24)26-18/h5,13-18,21-22H,2-4,6-8H2,1H3/b9-5+/t13-,14-,15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12,C20H24O6,pos_1_1sodium,360.157288488,CILZKZHKUCDCRP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
846,5258,-1,,,,0.0,MS1_match,CILZKZHKUCDCRP-RAHDRTFYSA-N,"InChI=1S/C20H24O6/c1-9(5-6-21)19(23)25-15-7-10(2)13-8-14(22)11(3)16(13)18-17(15)12(4)20(24)26-18/h5,13-18,21-22H,2-4,6-8H2,1H3/b9-5+/t13-,14-,15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12,C20H24O6,pos_1_1sodium,360.157288488,CILZKZHKUCDCRP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,0,7.0
847,5258,-1,,,,0.0,MS1_match,CILZKZHKUCDCRP-RAHDRTFYSA-N,"InChI=1S/C20H24O6/c1-9(5-6-21)19(23)25-15-7-10(2)13-8-14(22)11(3)16(13)18-17(15)12(4)20(24)26-18/h5,13-18,21-22H,2-4,6-8H2,1H3/b9-5+/t13-,14-,15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12,C20H24O6,pos_1_1sodium,360.157288488,CILZKZHKUCDCRP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
848,5258,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-SXGZJXTBSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O,C20H24O6,pos_1_1sodium,360.15728848799995,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
849,5258,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-SXGZJXTBSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O,C20H24O6,pos_1_1sodium,360.15728848799995,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
850,5258,-1,,,,0.0,MS1_match,CILZKZHKUCDCRP-RAHDRTFYSA-N,"InChI=1S/C20H24O6/c1-9(5-6-21)19(23)25-15-7-10(2)13-8-14(22)11(3)16(13)18-17(15)12(4)20(24)26-18/h5,13-18,21-22H,2-4,6-8H2,1H3/b9-5+/t13-,14-,15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12,C20H24O6,pos_1_1sodium,360.157288488,CILZKZHKUCDCRP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
851,5258,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-KXBFYZLASA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19-/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O,C20H24O6,pos_1_1sodium,360.157288488,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
852,5258,-1,,,,0.0,MS1_match,XRAMJHXWXCMGJM-UHFFFAOYSA-N,"InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3",COC(=O)CCc1ccc(O)cc1,C10H12O3,pos_2MNa,180.078644244,XRAMJHXWXCMGJM,Shikimates and Phenylpropanoids,,,Rhaponticoides africana,1066133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea africana'],7,0,7.0
853,5258,-1,,,,0.0,MS1_match,XRAMJHXWXCMGJM-UHFFFAOYSA-N,"InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3",COC(=O)CCc1ccc(O)cc1,C10H12O3,pos_2MNa,180.078644244,XRAMJHXWXCMGJM,Shikimates and Phenylpropanoids,,,Centaurea africana,1066133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea africana'],7,0,7.0
854,5258,-1,,,,0.0,MS1_match,LJULVBFDTBKRMY-ALBHKKMXSA-N,"InChI=1S/C20H24O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,6,9-10,16-18,22H,3,5,7-8,11H2,1-2H3/b12-4+,14-6+,15-9+/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12,C20H24O6,pos_1_1sodium,360.157288488,LJULVBFDTBKRMY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],7,0,7.0
855,5258,-1,,,,0.0,MS1_match,SBLZVJIHPWRSQQ-KXBFYZLASA-N,"InChI=1S/C20H24O6/c1-24-17-10-13(5-6-16(17)23)19-15(11-22)14-8-12(4-3-7-21)9-18(25-2)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19-/m0/s1",COc1cc([C@@H]2Oc3c(OC)cc(CCCO)cc3[C@@H]2CO)ccc1O,C20H24O6,pos_1_1sodium,360.157288488,SBLZVJIHPWRSQQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
856,5258,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-SXGZJXTBSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O,C20H24O6,pos_1_1sodium,360.15728848799995,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
857,5258,-1,,,,0.0,MS1_match,WWSYEWWKDKWTKC-RAHDRTFYSA-N,"InChI=1S/C20H24O6/c1-9(5-6-21)19(23)25-15-8-13-10(2)7-14(22)17-12(4)20(24)26-18(17)16(13)11(15)3/h5,13-18,21-22H,2-4,6-8H2,1H3/b9-5+/t13-,14-,15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)/C(C)=C/CO)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C20H24O6,pos_1_1sodium,360.157288488,WWSYEWWKDKWTKC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
858,5258,-1,,,,0.0,MS1_match,MHXCIKYXNYCMHY-SXGZJXTBSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3ccc(O)c(OC)c3)[C@@H]2CO)ccc1O,C20H24O6,pos_1_1sodium,360.15728848799995,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
859,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PKAIECBWQZFYRP-IOYKRAMTSA-N,"InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+/t14-,17+,20+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O,C20H26O4,pos_2MMg,330.18310931199994,PKAIECBWQZFYRP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Verbesina macrophylla,7605876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina macrophylla'],6,1,6.5
860,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,XYBAYFQGNADPLS-KPLVMYDQSA-N,"InChI=1S/C20H26O4/c1-6-12(2)18(21)24-17-16-13(3)11-23-15(16)10-14-8-7-9-19(4,22)20(14,17)5/h6,8,11,17,22H,7,9-10H2,1-5H3/b12-6+/t17-,19-,20-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C,C20H26O4,pos_2MMg,330.183109312,XYBAYFQGNADPLS,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio elegans,921133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio elegans'],6,1,6.5
861,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,XYBAYFQGNADPLS-YNDCGCGASA-N,"InChI=1S/C20H26O4/c1-6-12(2)18(21)24-17-16-13(3)11-23-15(16)10-14-8-7-9-19(4,22)20(14,17)5/h6,8,11,17,22H,7,9-10H2,1-5H3/b12-6-/t17-,19-,20-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C,C20H26O4,pos_2MMg,330.183109312,XYBAYFQGNADPLS,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops jacksonii,7607794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops jacksonii'],6,1,6.5
862,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,XYBAYFQGNADPLS-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-12(2)18(21)24-17-16-13(3)11-23-15(16)10-14-8-7-9-19(4,22)20(14,17)5/h6,8,11,17,22H,7,9-10H2,1-5H3",CC=C(C)C(=O)OC1c2c(C)coc2CC2=CCCC(C)(O)C21C,C20H26O4,pos_2MMg,330.183109312,XYBAYFQGNADPLS,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops virgineus,888569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops virgineus'],6,1,6.5
863,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZZYXIZIKWYOQPA-WOMWGDAOSA-N,"InChI=1S/C20H26O4/c1-12-9-16-20(3)14(18(22)24-16)5-4-6-15(20)19(12,2)8-7-13-10-17(21)23-11-13/h5,10,12,15-16H,4,6-9,11H2,1-3H3/t12-,15-,16+,19+,20-/m0/s1",C[C@H]1C[C@H]2OC(=O)C3=CCC[C@@H]([C@]1(C)CCC1=CC(=O)OC1)[C@]32C,C20H26O4,pos_2MMg,330.183109312,ZZYXIZIKWYOQPA,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Amphiachyris dracunculoides,325427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Amphiachyris'],['Amphiachyris dracunculoides'],6,1,6.5
864,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,CVAKRAZZOFTNQL-XGNBGGDFSA-N,"InChI=1S/C20H26O4/c1-11(2)6-17(21)24-14-7-13(4)20(5)9-15-12(3)10-23-19(15)18(22)16(20)8-14/h6,10,13-14,16H,7-9H2,1-5H3/t13-,14+,16+,20+/m0/s1",CC(C)=CC(=O)O[C@H]1C[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@@H](C)C1,C20H26O4,pos_2MMg,330.183109312,CVAKRAZZOFTNQL,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],6,1,6.5
865,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UVGNAGKHBDTENQ-BWXLUZPGSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-14-7-13(4)20(5)9-15-12(3)10-23-18(15)17(21)16(20)8-14/h6,10,13-14,16H,7-9H2,1-5H3/b11-6-/t13-,14+,16+,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1C[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@@H](C)C1,C20H26O4,pos_2MMg,330.183109312,UVGNAGKHBDTENQ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Petasites hybridus,533782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites hybridus'],6,1,6.5
866,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BPXUMQUVZMZLJO-VMYSJPTHSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-16-7-8-20(5)10-17-14(9-15(20)13(16)4)12(3)19(22)24-17/h6,14,16-17H,3,7-10H2,1-2,4-5H3/b11-6-/t14-,16+,17-,20-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@H](OC(=O)/C(C)=C\C)C(C)=C3C[C@H]12,C20H26O4,pos_2MMg,330.183109312,BPXUMQUVZMZLJO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Zinnia elegans,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
867,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BZRPKNIKUQJVKD-VAMGGRTRSA-N,"InChI=1S/C20H26O4/c1-12(2)9-16(21)24-18-17-13(3)11-23-15(17)10-14-7-6-8-19(4,22)20(14,18)5/h7,9,11,18,22H,6,8,10H2,1-5H3/t18-,19-,20-/m1/s1",CC(C)=CC(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C,C20H26O4,pos_2MMg,330.183109312,BZRPKNIKUQJVKD,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops jacksonii,7607794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops jacksonii'],6,1,6.5
868,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BPXUMQUVZMZLJO-VMYSJPTHSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-16-7-8-20(5)10-17-14(9-15(20)13(16)4)12(3)19(22)24-17/h6,14,16-17H,3,7-10H2,1-2,4-5H3/b11-6-/t14-,16+,17-,20-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@H](OC(=O)/C(C)=C\C)C(C)=C3C[C@H]12,C20H26O4,pos_2MMg,330.183109312,BPXUMQUVZMZLJO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Zinnia violacea,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
869,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,XLTXCDCBPIIWRO-LFXSTBPXSA-N,"InChI=1S/C20H26O4/c1-6-10(2)19(21)23-16-9-15-11(3)7-8-14-12(4)20(22)24-18(14)17(15)13(16)5/h6,12,14-18H,3,5,7-9H2,1-2,4H3/b10-6-/t12-,14+,15-,16-,17-,18-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@H]3CCC(=C)[C@@H]2C[C@@H]1OC(=O)/C(C)=C\C,C20H26O4,pos_2MMg,330.183109312,XLTXCDCBPIIWRO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia peruviana,378511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia peruviana'],6,1,6.5
870,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZUOGLGYRQHIDKQ-KWWJQKEASA-N,"InChI=1S/C20H26O4/c1-10(2)8-17(21)23-16-9-15-13(5)20(22)24-19(15)18-11(3)6-7-14(18)12(16)4/h10,14-16,18-19H,3-9H2,1-2H3/t14-,15-,16+,18-,19-/m0/s1",C=C1CC[C@H]2C(=C)[C@H](OC(=O)CC(C)C)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C20H26O4,pos_2MMg,330.183109312,ZUOGLGYRQHIDKQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia angustifolia,608901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia angustifolia'],6,1,6.5
871,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZUOGLGYRQHIDKQ-KWWJQKEASA-N,"InChI=1S/C20H26O4/c1-10(2)8-17(21)23-16-9-15-13(5)20(22)24-19(15)18-11(3)6-7-14(18)12(16)4/h10,14-16,18-19H,3-9H2,1-2H3/t14-,15-,16+,18-,19-/m0/s1",C=C1CC[C@H]2C(=C)[C@H](OC(=O)CC(C)C)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C20H26O4,pos_2MMg,330.183109312,ZUOGLGYRQHIDKQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia elegans,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
872,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZUOGLGYRQHIDKQ-KWWJQKEASA-N,"InChI=1S/C20H26O4/c1-10(2)8-17(21)23-16-9-15-13(5)20(22)24-19(15)18-11(3)6-7-14(18)12(16)4/h10,14-16,18-19H,3-9H2,1-2H3/t14-,15-,16+,18-,19-/m0/s1",C=C1CC[C@H]2C(=C)[C@H](OC(=O)CC(C)C)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C20H26O4,pos_2MMg,330.183109312,ZUOGLGYRQHIDKQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia violacea,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
873,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,CNWGROPVADNIPK-QQMKTDKLSA-N,"InChI=1S/C20H26O4/c1-6-10(2)19(21)23-16-9-15-13(5)20(22)24-18(15)17-11(3)7-8-14(17)12(16)4/h10,14-18H,3-9H2,1-2H3/t10-,14+,15+,16-,17+,18+/m1/s1",C=C1CC[C@H]2C(=C)[C@H](OC(=O)[C@H](C)CC)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C20H26O4,pos_2MMg,330.183109312,CNWGROPVADNIPK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia elegans,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
874,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,CNWGROPVADNIPK-QQMKTDKLSA-N,"InChI=1S/C20H26O4/c1-6-10(2)19(21)23-16-9-15-13(5)20(22)24-18(15)17-11(3)7-8-14(17)12(16)4/h10,14-18H,3-9H2,1-2H3/t10-,14+,15+,16-,17+,18+/m1/s1",C=C1CC[C@H]2C(=C)[C@H](OC(=O)[C@H](C)CC)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C20H26O4,pos_2MMg,330.183109312,CNWGROPVADNIPK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia violacea,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
875,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,CNWGROPVADNIPK-QQMKTDKLSA-N,"InChI=1S/C20H26O4/c1-6-10(2)19(21)23-16-9-15-13(5)20(22)24-18(15)17-11(3)7-8-14(17)12(16)4/h10,14-18H,3-9H2,1-2H3/t10-,14+,15+,16-,17+,18+/m1/s1",C=C1CC[C@H]2C(=C)[C@H](OC(=O)[C@H](C)CC)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C20H26O4,pos_2MMg,330.183109312,CNWGROPVADNIPK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia angustifolia,608901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia angustifolia'],6,1,6.5
876,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BPXUMQUVZMZLJO-VMYSJPTHSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-16-7-8-20(5)10-17-14(9-15(20)13(16)4)12(3)19(22)24-17/h6,14,16-17H,3,7-10H2,1-2,4-5H3/b11-6-/t14-,16+,17-,20-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@H](OC(=O)/C(C)=C\C)C(C)=C3C[C@H]12,C20H26O4,pos_2MMg,330.183109312,BPXUMQUVZMZLJO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Zinnia angustifolia,608901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia angustifolia'],6,1,6.5
877,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,NGWGQJWDUGJASR-KTIZIGNYSA-N,"InChI=1S/C20H26O4/c1-6-13(3)19(21)23-17-11-16-15(5)20(22)24-18(16)10-12(2)8-7-9-14(17)4/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-6-,14-9+/t16-,17+,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](OC(=O)/C(C)=C\C)C[C@H]12,C20H26O4,pos_2MMg,330.183109312,NGWGQJWDUGJASR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zinnia haageana,3899902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia haageana'],6,1,6.5
878,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BZRPKNIKUQJVKD-VAMGGRTRSA-N,"InChI=1S/C20H26O4/c1-12(2)9-16(21)24-18-17-13(3)11-23-15(17)10-14-7-6-8-19(4,22)20(14,18)5/h7,9,11,18,22H,6,8,10H2,1-5H3/t18-,19-,20-/m1/s1",CC(C)=CC(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@@](C)(O)[C@]21C,C20H26O4,pos_2MMg,330.183109312,BZRPKNIKUQJVKD,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio elegans,921133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio elegans'],6,1,6.5
879,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-GDIVAPDVSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15-,17+,19-,20-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.18310931199994,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia macrophylla,7051951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia macrophylla'],6,1,6.5
880,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,WVRDZXWBGHINPN-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-12-4-5-14-15(6-7-17(21)19(14,2)3)20(12)10-16(24-18(20)22)13-8-9-23-11-13/h5,8-9,11-12,15-17,21H,4,6-7,10H2,1-3H3",CC1CC=C2C(CCC(O)C2(C)C)C12CC(c1ccoc1)OC2=O,C20H26O4,pos_2MMg,330.183109312,WVRDZXWBGHINPN,Terpenoids,Diterpenoids,Halimane diterpenoids,Nardophyllum bryoides,536114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nardophyllum'],['Nardophyllum bryoides'],6,1,6.5
881,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,CNPSEJMTSGFDJT-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-12-4-5-14-15(6-7-17(21)19(14,2)3)20(12)10-16(24-18(20)22)13-8-9-23-11-13/h8-9,11-12,16-17,21H,4-7,10H2,1-3H3",CC1CCC2=C(CCC(O)C2(C)C)C12CC(c1ccoc1)OC2=O,C20H26O4,pos_2MMg,330.183109312,CNPSEJMTSGFDJT,Terpenoids,Diterpenoids,Halimane diterpenoids,Nardophyllum bryoides,536114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nardophyllum'],['Nardophyllum bryoides'],6,1,6.5
882,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,GBOFJSAGWGKOPP-VNNQNFERSA-N,"InChI=1S/C20H26O4/c1-13-6-8-20-15(17(22)12-24-20)4-3-5-18(20)19(13,2)10-16(21)14-7-9-23-11-14/h4,7,9,11,13,16,18,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,18-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23OCC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](O)c1ccoc1,C20H26O4,pos_2MMg,330.18310931199994,GBOFJSAGWGKOPP,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Heteropappus altaicus,820265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster altaicus'],6,1,6.5
883,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,GBOFJSAGWGKOPP-VNNQNFERSA-N,"InChI=1S/C20H26O4/c1-13-6-8-20-15(17(22)12-24-20)4-3-5-18(20)19(13,2)10-16(21)14-7-9-23-11-14/h4,7,9,11,13,16,18,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,18-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23OCC(=O)C2=CCC[C@@H]3[C@@]1(C)C[C@@H](O)c1ccoc1,C20H26O4,pos_2MMg,330.18310931199994,GBOFJSAGWGKOPP,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Aster altaicus,820265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster altaicus'],6,1,6.5
884,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,DBMHXJMLNATRDJ-RVRBBMDYSA-N,"InChI=1S/C20H26O4/c1-12-16(21)17-20(3)14(18(22)24-17)5-4-6-15(20)19(12,2)9-7-13-8-10-23-11-13/h5,8,10-12,15-17,21H,4,6-7,9H2,1-3H3/t12-,15-,16+,17+,19+,20+/m1/s1",C[C@@H]1[C@H](O)[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C,C20H26O4,pos_2MMg,330.183109312,DBMHXJMLNATRDJ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Pulicaria salviifolia,1047245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria salviifolia'],6,1,6.5
885,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,DZWVYGYFOOXIST-ZESCBINXSA-N,"InChI=1S/C20H26O4/c1-12-5-6-17-19(2,3)18(23)16(22)10-20(17,4)14(12)9-15(21)13-7-8-24-11-13/h7-8,11,14,17-18,23H,1,5-6,9-10H2,2-4H3/t14-,17-,18-,20+/m1/s1",C=C1CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]2(C)[C@@H]1CC(=O)c1ccoc1,C20H26O4,pos_2MMg,330.183109312,DZWVYGYFOOXIST,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Planaltoa lychnophoroides,5920881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Planaltoa'],['Planaltoa lychnophoroides'],6,1,6.5
886,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BUKCOURGDZTOBF-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-9(2)13-7-15(11(5)17(21)19(13)23)16-8-14(10(3)4)20(24)18(22)12(16)6/h7-10,21-24H,1-6H3",Cc1c(-c2cc(C(C)C)c(O)c(O)c2C)cc(C(C)C)c(O)c1O,C20H26O4,pos_2MMg,330.183109312,BUKCOURGDZTOBF,Terpenoids,Monoterpenoids,,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],6,1,6.5
887,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3",CC=C(C)C(=O)OC1c2c(C)coc2CC23OC2CCC(C)C13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio nemorensis,742737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nemorensis'],6,1,6.5
888,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-ZXPPNJHRSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15+,17+,19-,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio conrathii,7609062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio conrathii'],6,1,6.5
889,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-ZXPPNJHRSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15+,17+,19-,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia cyathiceps,113937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia cyathiceps'],6,1,6.5
890,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-GDIVAPDVSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15-,17+,19-,20-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@]23O[C@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.18310931199994,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia macrophylla,7051951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia macrophylla'],6,1,6.5
891,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3",CC=C(C)C(=O)OC1c2c(C)coc2CC23OC2CCC(C)C13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio nemorensis,742737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nemorensis'],6,1,6.5
892,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-ZXPPNJHRSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15+,17+,19-,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon praecox,711405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon praecox'],6,1,6.5
893,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-ZXPPNJHRSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15+,17+,19-,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio conrathii,7609062.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio conrathii'],6,1,6.5
894,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-ZXPPNJHRSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15+,17+,19-,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia cyathiceps,113937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia cyathiceps'],6,1,6.5
895,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BAHLYRYDRNWKKI-ZXPPNJHRSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-17-16-12(3)10-22-14(16)9-20-15(24-20)8-7-13(4)19(17,20)5/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15+,17+,19-,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@@]23O[C@@H]2CC[C@H](C)[C@@]13C,C20H26O4,pos_2MMg,330.183109312,BAHLYRYDRNWKKI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon praecox,711405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon praecox'],6,1,6.5
896,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZUKZBBNAMXPIEJ-XNWPKKHHSA-N,"InChI=1S/C20H26O4/c1-11(2)8-18(21)23-16-6-7-20(5)10-17-14(9-15(20)13(16)4)12(3)19(22)24-17/h8,14,16-17H,3,6-7,9-10H2,1-2,4-5H3/t14-,16+,17-,20-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@H](OC(=O)C=C(C)C)C(C)=C3C[C@H]12,C20H26O4,pos_2MMg,330.183109312,ZUKZBBNAMXPIEJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Zinnia elegans,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
897,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZUKZBBNAMXPIEJ-XNWPKKHHSA-N,"InChI=1S/C20H26O4/c1-11(2)8-18(21)23-16-6-7-20(5)10-17-14(9-15(20)13(16)4)12(3)19(22)24-17/h8,14,16-17H,3,6-7,9-10H2,1-2,4-5H3/t14-,16+,17-,20-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@H](OC(=O)C=C(C)C)C(C)=C3C[C@H]12,C20H26O4,pos_2MMg,330.183109312,ZUKZBBNAMXPIEJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Zinnia violacea,107899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia elegans'],6,1,6.5
898,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZUKZBBNAMXPIEJ-XNWPKKHHSA-N,"InChI=1S/C20H26O4/c1-11(2)8-18(21)23-16-6-7-20(5)10-17-14(9-15(20)13(16)4)12(3)19(22)24-17/h8,14,16-17H,3,6-7,9-10H2,1-2,4-5H3/t14-,16+,17-,20-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CC[C@H](OC(=O)C=C(C)C)C(C)=C3C[C@H]12,C20H26O4,pos_2MMg,330.183109312,ZUKZBBNAMXPIEJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Zinnia angustifolia,608901.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia angustifolia'],6,1,6.5
899,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UBSPYRWVKFNYNH-FXOXCMJQSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-15-8-7-14-9-16-17(12(3)10-23-16)18(21)20(14,5)13(15)4/h6-7,10,13,15,18,21H,8-9H2,1-5H3/b11-6-/t13-,15-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.18310931199994,UBSPYRWVKFNYNH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia pleurocaulis,119689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia pleurocaulis'],6,1,6.5
900,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JQGIZSHRFNEEFY-RDCBVSNWSA-N,"InChI=1S/C20H26O4/c1-6-10(2)19(21)23-16-9-15-11(3)7-8-14-12(4)20(22)24-18(14)17(15)13(16)5/h10,14-18H,3-9H2,1-2H3/t10-,14+,15+,16+,17+,18+/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1OC(=O)[C@H](C)CC,C20H26O4,pos_2MMg,330.183109312,JQGIZSHRFNEEFY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Fitchia speciosa,454661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Fitchia'],['Fitchia speciosa'],6,1,6.5
901,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZPLFOPUZSGPGOM-RIGOSBQESA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-15-7-17-20(24-17)9-16-14(12(3)10-22-16)8-19(20,5)13(15)4/h6,10,13,15,17H,7-9H2,1-5H3/b11-6-/t13-,15-,17+,19+,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1C[C@H]2O[C@]23Cc2occ(C)c2C[C@]3(C)[C@H]1C,C20H26O4,pos_2MMg,330.18310931199994,ZPLFOPUZSGPGOM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Robinsonecio gerberifolius,711410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Robinsonecio'],['Robinsonecio gerberifolius'],6,1,6.5
902,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MSUGIEBLKPBYGA-ORNVVXIYSA-N,"InChI=1S/C20H26O4/c1-13-3-7-20-12-24-18(22)16(20)9-15(21)10-17(20)19(13,2)6-4-14-5-8-23-11-14/h5,8,10-11,13,15-16,21H,3-4,6-7,9,12H2,1-2H3/t13-,15-,16-,19+,20+/m1/s1",C[C@@H]1CC[C@]23COC(=O)[C@H]2C[C@@H](O)C=C3[C@@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.183109312,MSUGIEBLKPBYGA,Terpenoids,Diterpenoids,Halimane diterpenoids,Baccharis gaudichaudiana,7599949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis gaudichaudiana'],6,1,6.5
903,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PFLSRYIOOFGEGE-WORNGAQOSA-N,"InChI=1S/C20H26O4/c1-5-11(2)19(21)24-15-7-6-13-8-16-17(12(3)9-22-16)18-20(13,4)14(15)10-23-18/h5,9,13-15,18H,6-8,10H2,1-4H3/b11-5-/t13-,14+,15+,18+,20+/m1/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@@H]1[C@]23C,C20H26O4,pos_2MMg,330.183109312,PFLSRYIOOFGEGE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Hertia pallens,259951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Hertia'],['Hertia pallens'],6,1,6.5
904,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PFLSRYIOOFGEGE-WORNGAQOSA-N,"InChI=1S/C20H26O4/c1-5-11(2)19(21)24-15-7-6-13-8-16-17(12(3)9-22-16)18-20(13,4)14(15)10-23-18/h5,9,13-15,18H,6-8,10H2,1-4H3/b11-5-/t13-,14+,15+,18+,20+/m1/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H]3OC[C@@H]1[C@]23C,C20H26O4,pos_2MMg,330.183109312,PFLSRYIOOFGEGE,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Syneilesis palmata,944235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Syneilesis'],['Syneilesis palmata'],6,1,6.5
905,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UBSPYRWVKFNYNH-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-15-8-7-14-9-16-17(12(3)10-23-16)18(21)20(14,5)13(15)4/h6-7,10,13,15,18,21H,8-9H2,1-5H3",CC=C(C)C(=O)OC1CC=C2Cc3occ(C)c3C(O)C2(C)C1C,C20H26O4,pos_2MMg,330.183109312,UBSPYRWVKFNYNH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio vernalis,162098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio vernalis'],6,1,6.5
906,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,YNNJQADRYQOWDM-SYOYXXOUSA-N,"InChI=1S/C20H26O4/c1-13-3-7-20-12-24-15(9-16(20)18(21)22)10-17(20)19(13,2)6-4-14-5-8-23-11-14/h5,8-9,11,13,15,17H,3-4,6-7,10,12H2,1-2H3,(H,21,22)/t13-,15+,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23CO[C@@H](C=C2C(=O)O)C[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.18310931199994,YNNJQADRYQOWDM,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis flabellata,7599937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis flabellata'],6,1,6.5
907,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JMPCBBCNNVGUKM-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11(2)8-17(21)24-15-7-6-14-9-16-18(12(3)10-23-16)19(22)20(14,5)13(15)4/h6,8,10,13,15,19,22H,7,9H2,1-5H3",CC(C)=CC(=O)OC1CC=C2Cc3occ(C)c3C(O)C2(C)C1C,C20H26O4,pos_2MMg,330.183109312,JMPCBBCNNVGUKM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio vernalis,162098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio vernalis'],6,1,6.5
908,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,YVPHQKOPRGZWCY-LBKJXAOASA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)24-17-16-13(4)19(22)23-15(16)10-14-9-7-8-12(3)20(14,17)5/h6,9,12,15,17H,7-8,10H2,1-5H3/b11-6-/t12-,15+,17+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@H]2CC2=CCC[C@H](C)[C@]21C,C20H26O4,pos_2MMg,330.183109312,YVPHQKOPRGZWCY,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Jacobaea ambracea,220192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea ambracea'],6,1,6.5
909,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,GBHOTPKNLQPMRP-VHZJELHWSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-7-8-15(21)13(4)20(14,18)5/h6-7,10,13,15,18,21H,8-9H2,1-5H3/b11-6+/t13-,15-,18+,20+/m0/s1",C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2CC2=CC[C@H](O)[C@H](C)[C@]21C,C20H26O4,pos_2MMg,330.183109312,GBHOTPKNLQPMRP,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia pleurocaulis,119689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia pleurocaulis'],6,1,6.5
910,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,SDNILGGFZCMCHY-ANSOJVFESA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)23-14-10-20(5)8-6-7-12(3)17(20)18-16(14)13(4)19(22)24-18/h6-8,11,14,16-18H,4,9-10H2,1-3,5H3/t14-,16+,17+,18-,20-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)CC(C)C)C[C@]1(C)C=CC=C(C)[C@H]21,C20H26O4,pos_2MMg,330.183109312,SDNILGGFZCMCHY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Gazania krebsiana,434001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Arctotideae'],['Gazania'],['Gazania krebsiana'],6,1,6.5
911,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JMPCBBCNNVGUKM-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11(2)8-17(21)24-15-7-6-14-9-16-18(12(3)10-23-16)19(22)20(14,5)13(15)4/h6,8,10,13,15,19,22H,7,9H2,1-5H3",CC(C)=CC(=O)OC1CC=C2Cc3occ(C)c3C(O)C2(C)C1C,C20H26O4,pos_2MMg,330.183109312,JMPCBBCNNVGUKM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Roldana lineolata,563026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana lineolata'],6,1,6.5
912,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UBSPYRWVKFNYNH-FXOXCMJQSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-15-8-7-14-9-16-17(12(3)10-23-16)18(21)20(14,5)13(15)4/h6-7,10,13,15,18,21H,8-9H2,1-5H3/b11-6-/t13-,15-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.18310931199994,UBSPYRWVKFNYNH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Roldana lineolata,563026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana lineolata'],6,1,6.5
913,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UBSPYRWVKFNYNH-FXOXCMJQSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-15-8-7-14-9-16-17(12(3)10-23-16)18(21)20(14,5)13(15)4/h6-7,10,13,15,18,21H,8-9H2,1-5H3/b11-6-/t13-,15-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.18310931199994,UBSPYRWVKFNYNH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia pleurocaulis,119689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia pleurocaulis'],6,1,6.5
914,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UBSPYRWVKFNYNH-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-15-8-7-14-9-16-17(12(3)10-23-16)18(21)20(14,5)13(15)4/h6-7,10,13,15,18,21H,8-9H2,1-5H3",CC=C(C)C(=O)OC1CC=C2Cc3occ(C)c3C(O)C2(C)C1C,C20H26O4,pos_2MMg,330.183109312,UBSPYRWVKFNYNH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio vernalis,162098.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio vernalis'],6,1,6.5
915,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,KBPMNOLIWDLUPI-NJXRHRCWSA-N,"InChI=1S/C20H26O4/c1-6-11(2)18(21)23-16-8-7-14-9-17-15(12(3)19(22)24-17)10-20(14,5)13(16)4/h6,9,13,16-17H,7-8,10H2,1-5H3/b11-6-/t13-,16-,17+,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@H]3OC(=O)C(C)=C3C[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.183109312,KBPMNOLIWDLUPI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Farfugium japonicum,619957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Farfugium'],['Farfugium japonicum'],6,1,6.5
916,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UWQHIMAXZZEVJA-ZSXHRAQDSA-N,"InChI=1S/C20H26O4/c1-13-5-6-17-19(2,8-4-9-20(17,3)18(22)23)15(13)11-16(21)14-7-10-24-12-14/h7,10,12,15,17H,1,4-6,8-9,11H2,2-3H3,(H,22,23)/t15-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CC(=O)c1ccoc1,C20H26O4,pos_2MMg,330.18310931199994,UWQHIMAXZZEVJA,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Brickellia glomerata,5794425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia glomerata'],6,1,6.5
917,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PRLXHEUKWIVTBJ-APSGNOSNSA-N,"InChI=1S/C20H26O4/c1-14(2)6-4-8-16-10-11-18(24-20(16)22)15(3)7-5-9-17-12-13-23-19(17)21/h6-7,10,12,18H,4-5,8-9,11,13H2,1-3H3/b15-7+/t18-/m0/s1",CC(C)=CCCC1=CC[C@@H](/C(C)=C/CCC2=CCOC2=O)OC1=O,C20H26O4,pos_2MMg,330.183109312,PRLXHEUKWIVTBJ,Terpenoids,Diterpenoids,Phytane diterpenoids,Nidorella elliotii,7598368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella elliotii'],6,1,6.5
918,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,CZISMHZGGMHTGB-QFYRBMFKSA-N,"InChI=1S/C20H26O4/c1-13-4-7-20(3)16(18(22)23)10-15(21)11-17(20)19(13,2)8-5-14-6-9-24-12-14/h5-6,8-10,12-13,15,17,21H,4,7,11H2,1-3H3,(H,22,23)/b8-5+/t13-,15+,17-,19+,20+/m1/s1",C[C@@H]1CC[C@@]2(C)C(C(=O)O)=C[C@H](O)C[C@@H]2[C@@]1(C)/C=C/c1ccoc1,C20H26O4,pos_2MMg,330.183109312,CZISMHZGGMHTGB,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Nidorella elliotii,7598368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella elliotii'],6,1,6.5
919,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,WXXUTDJJIXJPLZ-GCYDMZABSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-17-12(3)10-23-16(17)9-14-15(21)8-7-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/t13-,14-,18-,20+/m0/s1",CC=C(C)C(=O)O[C@H]1c2c(C)coc2C[C@H]2C(=O)CC[C@H](C)[C@]21C,C20H26O4,pos_2MMg,330.183109312,WXXUTDJJIXJPLZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia macrophylla,7051951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia macrophylla'],6,1,6.5
920,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PXMQEUQSUMAFIZ-WBZSCFCESA-N,"InChI=1S/C20H26O4/c1-11(2)8-17(21)24-16-7-6-15-18(22)19-14(12(3)10-23-19)9-20(15,5)13(16)4/h8,10,13,15-16H,6-7,9H2,1-5H3/t13-,15-,16+,20+/m0/s1",CC(C)=CC(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.183109312,PXMQEUQSUMAFIZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio smithii,462316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio smithii'],6,1,6.5
921,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,SCWFHGJMMYKSLU-FUIJVIPGSA-N,"InChI=1S/C20H26O4/c1-7-13(4)20(23)24-17(11-8-12(2)3)15(6)16-10-9-14(5)18(21)19(16)22/h7-10,17,21-22H,6,11H2,1-5H3/b13-7-/t17-/m0/s1",C=C(c1ccc(C)c(O)c1O)[C@H](CC=C(C)C)OC(=O)/C(C)=C\C,C20H26O4,pos_2MMg,330.183109312,SCWFHGJMMYKSLU,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Ligularia altaica,7051929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia altaica'],6,1,6.5
922,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,SCWFHGJMMYKSLU-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-7-13(4)20(23)24-17(11-8-12(2)3)15(6)16-10-9-14(5)18(21)19(16)22/h7-10,17,21-22H,6,11H2,1-5H3",C=C(c1ccc(C)c(O)c1O)C(CC=C(C)C)OC(=O)C(C)=CC,C20H26O4,pos_2MMg,330.183109312,SCWFHGJMMYKSLU,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Tussilago farfara,1069824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Tussilago'],['Tussilago farfara'],6,1,6.5
923,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,VMPOHAQHVHJHTM-RTBCOKGWSA-N,"InChI=1S/C20H26O4/c1-12-9-16(22)18-19(2,3)17(23)5-7-20(18,4)14(12)10-15(21)13-6-8-24-11-13/h6,8,11,14,16,18,22H,1,5,7,9-10H2,2-4H3/t14-,16+,18-,20+/m0/s1",C=C1C[C@@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC(=O)c1ccoc1,C20H26O4,pos_2MMg,330.183109312,VMPOHAQHVHJHTM,Terpenoids,Diterpenoids,Halimane diterpenoids,Brickellia oliganthes,5794381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia oliganthes'],6,1,6.5
924,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,VMPOHAQHVHJHTM-RTBCOKGWSA-N,"InChI=1S/C20H26O4/c1-12-9-16(22)18-19(2,3)17(23)5-7-20(18,4)14(12)10-15(21)13-6-8-24-11-13/h6,8,11,14,16,18,22H,1,5,7,9-10H2,2-4H3/t14-,16+,18-,20+/m0/s1",C=C1C[C@@H](O)[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC(=O)c1ccoc1,C20H26O4,pos_2MMg,330.183109312,VMPOHAQHVHJHTM,Terpenoids,Diterpenoids,Halimane diterpenoids,Brickellia kellermanii,5794381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia oliganthes'],6,1,6.5
925,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UBSPYRWVKFNYNH-FXOXCMJQSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-15-8-7-14-9-16-17(12(3)10-23-16)18(21)20(14,5)13(15)4/h6-7,10,13,15,18,21H,8-9H2,1-5H3/b11-6-/t13-,15-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](O)[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.18310931199994,UBSPYRWVKFNYNH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Roldana lineolata,563026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana lineolata'],6,1,6.5
926,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,KIMUQYZGWWHUDI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11(2)8-16(21)23-18-17-12(3)10-22-14(17)9-20-15(24-20)7-6-13(4)19(18,20)5/h8,10,13,15,18H,6-7,9H2,1-5H3",CC(C)=CC(=O)OC1c2c(C)coc2CC23OC2CCC(C)C13C,C20H26O4,pos_2MMg,330.183109312,KIMUQYZGWWHUDI,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio rigidus,7609715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio rigidus'],6,1,6.5
927,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,LZKJRCHZSNKGRM-YWXGMFSMSA-N,"InChI=1S/C20H26O4/c1-14-11-17(21)12-20(2,3)18(14)8-7-16(19(22)23)6-4-5-15-9-10-24-13-15/h6,9-11,13,18H,4-5,7-8,12H2,1-3H3,(H,22,23)/b16-6-/t18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC/C(=C/CCc1ccoc1)C(=O)O,C20H26O4,pos_2MMg,330.183109312,LZKJRCHZSNKGRM,Terpenoids,Diterpenoids,Cyclophytane diterpenoids,Tamaulipa azurea,731325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Tamaulipa'],['Tamaulipa azurea'],6,1,6.5
928,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OUFALIMUAGMGPU-YUNKPMOVSA-N,"InChI=1S/C20H26O4/c1-10(2)13-16(22)14-11(21)9-12-19(3,4)7-6-8-20(12,5)15(14)18(24)17(13)23/h10,12,23H,6-9H2,1-5H3/t12-,20-/m0/s1",CC(C)C1=C(O)C(=O)C2=C(C(=O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O,C20H26O4,pos_2MMg,330.183109312,OUFALIMUAGMGPU,Terpenoids,Diterpenoids,Abietane diterpenoids,Inula royleana,7607487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Inula royleana'],6,1,6.5
929,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-ULWCJKCRSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6+/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C/C)[C@H]12,C20H26O4,pos_2MMg,330.183109312,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Brocchia cinerea,997914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula cinerea'],6,1,6.5
930,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PUBUQGJOCRORHJ-SDXWFIKWSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h9-11,13,18H,6-8H2,1-5H3/t11-,13+,18-,20-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C,C20H26O4,pos_2MMg,330.183109312,PUBUQGJOCRORHJ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Roldana aschenborniana,5794273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana aschenborniana'],6,1,6.5
931,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PUBUQGJOCRORHJ-SDXWFIKWSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h9-11,13,18H,6-8H2,1-5H3/t11-,13+,18-,20-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C,C20H26O4,pos_2MMg,330.183109312,PUBUQGJOCRORHJ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Trixis anomala,7624253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Trixis'],['Trixis anomala'],6,1,6.5
932,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PUBUQGJOCRORHJ-SDXWFIKWSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h9-11,13,18H,6-8H2,1-5H3/t11-,13+,18-,20-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C,C20H26O4,pos_2MMg,330.183109312,PUBUQGJOCRORHJ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Jacobaea erucifolia,117046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea erucifolia'],6,1,6.5
933,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PUBUQGJOCRORHJ-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h9-11,13,18H,6-8H2,1-5H3",CCC(C)C(=O)OC1c2c(C)coc2C(=O)C2=CCCC(C)C21C,C20H26O4,pos_2MMg,330.183109312,PUBUQGJOCRORHJ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Culcitium canescens,1049101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Culcitium'],['Culcitium canescens'],6,1,6.5
934,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PUBUQGJOCRORHJ-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h9-11,13,18H,6-8H2,1-5H3",CCC(C)C(=O)OC1c2c(C)coc2C(=O)C2=CCCC(C)C21C,C20H26O4,pos_2MMg,330.183109312,PUBUQGJOCRORHJ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Packera,269329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Unknown'],6,1,6.5
935,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-DHGOMEPGSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6-/t13-,14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Roldana aschenborniana,5794273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana aschenborniana'],6,1,6.5
936,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-DHGOMEPGSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6-/t13-,14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Trixis anomala,7624253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Trixis'],['Trixis anomala'],6,1,6.5
937,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BTOWBGAONBSYQM-FXZWHMERSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10-11,13-14,18H,1,7-9H2,2-5H3/t11-,13-,14-,18+,20+/m0/s1",C=C[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BTOWBGAONBSYQM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Roldana aschenborniana,5794273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana aschenborniana'],6,1,6.5
938,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-QGDUONQESA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6+/t13-,14-,18+,20+/m0/s1",C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio asperulus,860810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio asperulus'],6,1,6.5
939,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-DHGOMEPGSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6-/t13-,14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Lasiocephalus ovatus,187046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Lasiocephalus'],['Lasiocephalus ovatus'],6,1,6.5
940,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3",CC=C(C)C(=O)OC1c2c(C)coc2C(=O)C2CCCC(C)C21C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio umbellatus,7609892.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio umbellatus'],6,1,6.5
941,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-DHGOMEPGSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6-/t13-,14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio chionophilus,7609027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio chionophilus'],6,1,6.5
942,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-DHGOMEPGSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6-/t13-,14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon praecox,711405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon praecox'],6,1,6.5
943,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-DHGOMEPGSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6-/t13-,14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia cyathiceps,113937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia cyathiceps'],6,1,6.5
944,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-QGDUONQESA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6+/t13-,14-,18+,20+/m0/s1",C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio macrotis,7609436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio macrotis'],6,1,6.5
945,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,FWENKENVKHNNFP-CJMONDIMSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8,10-11,13,19H,6-7,9H2,1-5H3/t13-,19+,20+/m0/s1",Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@H]1C)C2=O,C20H26O4,pos_2MMg,330.183109312,FWENKENVKHNNFP,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Trixis anomala,7624253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Trixis'],['Trixis anomala'],6,1,6.5
946,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BRYHBHIVFOXTSH-QGDUONQESA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10,13-14,18H,7-9H2,1-5H3/b11-6+/t13-,14-,18+,20+/m0/s1",C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BRYHBHIVFOXTSH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio rosmarinifolius,6056999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio rosmarinifolius'],6,1,6.5
947,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BTOWBGAONBSYQM-FXZWHMERSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h6,10-11,13-14,18H,1,7-9H2,2-5H3/t11-,13-,14-,18+,20+/m0/s1",C=C[C@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,BTOWBGAONBSYQM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Trixis anomala,7624253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Trixis'],['Trixis anomala'],6,1,6.5
948,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JPADNOYXVVHBCB-LONLNUGOSA-N,"InChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3/t13-,16-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,JPADNOYXVVHBCB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],6,1,6.5
949,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JPADNOYXVVHBCB-HCAQKZJRSA-N,"InChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3/t13-,16+,19-,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,JPADNOYXVVHBCB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago gigantea,1083535.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago gigantea'],6,1,6.5
950,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PKAIECBWQZFYRP-SOFGYWHQSA-N,"InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+",COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O,C20H26O4,pos_2MMg,330.183109312,PKAIECBWQZFYRP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Electranthera mutica,789611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis mutica'],6,1,6.5
951,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PKAIECBWQZFYRP-SOFGYWHQSA-N,"InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+",COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O,C20H26O4,pos_2MMg,330.183109312,PKAIECBWQZFYRP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Smallanthus glabratus,7606770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus glabratus'],6,1,6.5
952,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PKAIECBWQZFYRP-IOYKRAMTSA-N,"InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+/t14-,17+,20+/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1O,C20H26O4,pos_2MMg,330.18310931199994,PKAIECBWQZFYRP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Verbesina macrophylla,7605876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina macrophylla'],6,1,6.5
953,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PKAIECBWQZFYRP-SOFGYWHQSA-N,"InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+",COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O,C20H26O4,pos_2MMg,330.183109312,PKAIECBWQZFYRP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Electranthera mutica,789611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Coreopsis'],['Coreopsis mutica'],6,1,6.5
954,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PKAIECBWQZFYRP-SOFGYWHQSA-N,"InChI=1S/C20H26O4/c1-19(2)14-9-10-20(19,3)17(12-14)24-18(22)8-6-13-5-7-15(21)16(11-13)23-4/h5-8,11,14,17,21H,9-10,12H2,1-4H3/b8-6+",COc1cc(/C=C/C(=O)OC2CC3CCC2(C)C3(C)C)ccc1O,C20H26O4,pos_2MMg,330.183109312,PKAIECBWQZFYRP,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Smallanthus glabratus,7606770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus glabratus'],6,1,6.5
955,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,DCXOHMAYUCNKNU-JEHWYKQSSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-9-12(2)7-8-17-15(5)20(22)24-18(17)11-13(3)10-16/h6,9,11,16-18H,5,7-8,10H2,1-4H3/b12-9+,13-11+,14-6-/t16-,17+,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)/C=C(\C)CC[C@@H]12,C20H26O4,pos_2MMg,330.183109312,DCXOHMAYUCNKNU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Rudbeckia grandiflora,837465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Rudbeckia'],['Rudbeckia grandiflora'],6,1,6.5
956,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,DCXOHMAYUCNKNU-JEHWYKQSSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-9-12(2)7-8-17-15(5)20(22)24-18(17)11-13(3)10-16/h6,9,11,16-18H,5,7-8,10H2,1-4H3/b12-9+,13-11+,14-6-/t16-,17+,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)/C=C(\C)CC[C@@H]12,C20H26O4,pos_2MMg,330.183109312,DCXOHMAYUCNKNU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Rudbeckia subtomentosa,36537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Rudbeckia'],['Rudbeckia subtomentosa'],6,1,6.5
957,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,ZKUWHVKICYZVFY-HCAQKZJRSA-N,"InChI=1S/C20H26O4/c1-13-6-10-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)9-7-14-8-11-23-17(14)21/h4,8,13,16H,3,5-7,9-12H2,1-2H3/t13-,16+,19-,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CCOC1=O,C20H26O4,pos_2MMg,330.183109312,ZKUWHVKICYZVFY,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,1,6.5
958,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,NITWZXGUPPFECT-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-16-8-7-15-17(21)18-14(12(3)10-23-18)9-20(15,5)13(16)4/h6,10,13,15-16H,7-9H2,1-5H3",CC=C(C)C(=O)OC1CCC2C(=O)c3occ(C)c3CC2(C)C1C,C20H26O4,pos_2MMg,330.183109312,NITWZXGUPPFECT,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio collinus,7609053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio collinus'],6,1,6.5
959,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,NITWZXGUPPFECT-WMTHBMECSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-16-8-7-15-17(21)18-14(12(3)10-23-18)9-20(15,5)13(16)4/h6,10,13,15-16H,7-9H2,1-5H3/b11-6-/t13-,15-,16+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CC[C@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.183109312,NITWZXGUPPFECT,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops hebecarpus,239032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops hebecarpus'],6,1,6.5
960,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,NITWZXGUPPFECT-MRZBCURVSA-N,"InChI=1S/C20H26O4/c1-6-11(2)19(22)24-16-8-7-15-17(21)18-14(12(3)10-23-18)9-20(15,5)13(16)4/h6,10,13,15-16H,7-9H2,1-5H3/b11-6-/t13-,15+,16-,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C,C20H26O4,pos_2MMg,330.183109312,NITWZXGUPPFECT,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia franchetiana,521464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia franchetiana'],6,1,6.5
961,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,CKWCZHSERNCFJJ-VSHYEWDMSA-N,"InChI=1S/C20H26O4/c1-14(2)10-18-12-17(20(22)24-18)9-5-7-15(3)6-4-8-16-11-19(21)23-13-16/h6,9-11,18H,4-5,7-8,12-13H2,1-3H3/b15-6+,17-9+/t18-/m1/s1",CC(C)=C[C@@H]1C/C(=C\CC/C(C)=C/CCC2=CC(=O)OC2)C(=O)O1,C20H26O4,pos_2MMg,330.18310931199994,CKWCZHSERNCFJJ,Terpenoids,Diterpenoids,Phytane diterpenoids,Heteroplexis microcephala,7623701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Heteroplexis'],['Heteroplexis microcephala'],6,1,6.5
962,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JPADNOYXVVHBCB-VPWHWELZSA-N,"InChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3/t13-,16?,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCCC3[C@@]1(C)CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,JPADNOYXVVHBCB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Heteroplexis microcephala,7623701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Heteroplexis'],['Heteroplexis microcephala'],6,1,6.5
963,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JPADNOYXVVHBCB-LONLNUGOSA-N,"InChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3/t13-,16-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,JPADNOYXVVHBCB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis trinervis,217029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis trinervis'],6,1,6.5
964,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JPADNOYXVVHBCB-LONLNUGOSA-N,"InChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3/t13-,16-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,JPADNOYXVVHBCB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis rufidula,7600164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis rufidula'],6,1,6.5
965,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JPADNOYXVVHBCB-DYLQCGAMSA-N,"InChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3/t13-,16-,19+,20+/m0/s1",C[C@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,JPADNOYXVVHBCB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Gutierrezia texana,271772.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia texana'],6,1,6.5
966,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JPADNOYXVVHBCB-HCAQKZJRSA-N,"InChI=1S/C20H26O4/c1-13-6-9-20-12-24-18(22)15(20)4-3-5-16(20)19(13,2)8-7-14-10-17(21)23-11-14/h4,10,13,16H,3,5-9,11-12H2,1-2H3/t13-,16+,19-,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@H]3[C@]1(C)CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,JPADNOYXVVHBCB,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,1,6.5
967,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,FWENKENVKHNNFP-CJMONDIMSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8,10-11,13,19H,6-7,9H2,1-5H3/t13-,19+,20+/m0/s1",Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@H]1C)C2=O,C20H26O4,pos_2MMg,330.183109312,FWENKENVKHNNFP,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Roldana aschenborniana,5794273.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana aschenborniana'],6,1,6.5
968,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,FWENKENVKHNNFP-CJMONDIMSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8,10-11,13,19H,6-7,9H2,1-5H3/t13-,19+,20+/m0/s1",Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@H]1C)C2=O,C20H26O4,pos_2MMg,330.183109312,FWENKENVKHNNFP,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Dendrophorbium balsapampae,7608203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Dendrophorbium'],['Dendrophorbium balsapampae'],6,1,6.5
969,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,FWENKENVKHNNFP-CJMONDIMSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8,10-11,13,19H,6-7,9H2,1-5H3/t13-,19+,20+/m0/s1",Cc1coc2c1[C@@H](OC(=O)CC(C)C)[C@@]1(C)C(=CCC[C@@H]1C)C2=O,C20H26O4,pos_2MMg,330.183109312,FWENKENVKHNNFP,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio macrotis,7609436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio macrotis'],6,1,6.5
970,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PIGAIBAKKDXNOK-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h10,14-16,18-19H,3-9H2,1-2H3",C=C1C(=O)OC2C1CCC(=C)C1CC(OC(=O)CC(C)C)C(=C)C12,C20H26O4,pos_2MMg,330.183109312,PIGAIBAKKDXNOK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cosmos,591408.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Cosmos'],['Unknown'],6,1,6.5
971,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PIGAIBAKKDXNOK-QAGGRKNESA-N,"InChI=1S/C20H26O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h10,14-16,18-19H,3-9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1OC(=O)CC(C)C,C20H26O4,pos_2MMg,330.183109312,PIGAIBAKKDXNOK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cosmos pringlei,7602309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Cosmos'],['Cosmos pringlei'],6,1,6.5
972,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PIGAIBAKKDXNOK-QAGGRKNESA-N,"InChI=1S/C20H26O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h10,14-16,18-19H,3-9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1OC(=O)CC(C)C,C20H26O4,pos_2MMg,330.183109312,PIGAIBAKKDXNOK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Zinnia peruviana,378511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Zinnia'],['Zinnia peruviana'],6,1,6.5
973,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-ULWCJKCRSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6+/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C/C)[C@H]12,C20H26O4,pos_2MMg,330.183109312,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ursinia sericea,5920636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia sericea'],6,1,6.5
974,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VUQQRKDTSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17-,18-/m0/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.183109312,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cotula cinerea,997914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula cinerea'],6,1,6.5
975,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PIGAIBAKKDXNOK-QAGGRKNESA-N,"InChI=1S/C20H26O4/c1-10(2)8-17(21)23-16-9-15-11(3)6-7-14-12(4)20(22)24-19(14)18(15)13(16)5/h10,14-16,18-19H,3-9H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1OC(=O)CC(C)C,C20H26O4,pos_2MMg,330.183109312,PIGAIBAKKDXNOK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ainsliaea uniflora,744889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Pertyeae'],['Ainsliaea'],['Ainsliaea uniflora'],6,1,6.5
976,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VBMHVEAXSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.18310931199994,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gochnatia vernonioides,5784857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Gochnatia'],['Gochnatia vernonioides'],6,1,6.5
977,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VBMHVEAXSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.18310931199994,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Seris polymorpha,7624356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Onoserideae'],['Onoseris'],['Seris polymorpha'],6,1,6.5
978,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-ULWCJKCRSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6+/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C/C)[C@H]12,C20H26O4,pos_2MMg,330.183109312,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Brocchia cinerea,997914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula cinerea'],6,1,6.5
979,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-ULWCJKCRSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6+/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C/C)[C@H]12,C20H26O4,pos_2MMg,330.183109312,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ursinia sericea,5920636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia sericea'],6,1,6.5
980,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VUQQRKDTSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17-,18-/m0/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.183109312,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cotula cinerea,997914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula cinerea'],6,1,6.5
981,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VBMHVEAXSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.18310931199994,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gochnatia vernonioides,5784857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Gochnatia'],['Gochnatia vernonioides'],6,1,6.5
982,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VBMHVEAXSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.18310931199994,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Richterago polymorpha,5784878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Richterago'],['Richterago polymorpha'],6,1,6.5
983,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VBMHVEAXSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.18310931199994,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Seris polymorpha,7624356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Onoserideae'],['Onoseris'],['Seris polymorpha'],6,1,6.5
984,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,TVZVGKUKJBIRJK-VBMHVEAXSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,9-10,16-18H,5,7-8,11H2,1-4H3/b12-10+,13-9+,14-6-/t16-,17+,18+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(C)=C/[C@@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O4,pos_2MMg,330.18310931199994,TVZVGKUKJBIRJK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Richterago polymorpha,5784878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gochnatieae'],['Richterago'],['Richterago polymorpha'],6,1,6.5
985,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,VGJOOKOJOFUENK-WOCWYEKDSA-N,"InChI=1S/C20H26O4/c1-18-8-3-9-19(2,17(22)23)14(18)6-10-20(12-21)15(18)5-4-13-7-11-24-16(13)20/h7,11-12,14-15H,3-6,8-10H2,1-2H3,(H,22,23)/t14-,15-,18+,19-,20+/m0/s1",C[C@@]12CCC[C@](C)(C(=O)O)[C@H]1CC[C@]1(C=O)c3occc3CC[C@@H]21,C20H26O4,pos_2MMg,330.183109312,VGJOOKOJOFUENK,Terpenoids,Diterpenoids,Cassane diterpenoids,Gutierrezia sarothrae,991721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia sarothrae'],6,1,6.5
986,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HXMMJGIMTCOROX-BSTYXBPDSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,16-18H,5,7,9-10H2,1-4H3/b12-8+,13-11+,14-6-/t16-,17-,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12,C20H26O4,pos_2MMg,330.183109312,HXMMJGIMTCOROX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Helogyne apaloidea,7623679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Helogyne'],['Helogyne apaloidea'],6,1,6.5
987,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HXMMJGIMTCOROX-ZWYGKDPNSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,16-18H,5,7,9-10H2,1-4H3/b12-8+,13-11+,14-6-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12,C20H26O4,pos_2MMg,330.183109312,HXMMJGIMTCOROX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tanacetum argenteum,322083.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum argenteum'],6,1,6.5
988,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,YVONBTHGNOQAFF-ZPZLLIBOSA-N,"InChI=1S/C20H26O4/c1-14-9-17(22)11-20(2,3)18(14)8-7-15(12-21)5-4-6-16-10-19(23)24-13-16/h5,9-10,12,18H,4,6-8,11,13H2,1-3H3/b15-5-/t18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC/C(C=O)=C/CCC1=CC(=O)OC1,C20H26O4,pos_2MMg,330.183109312,YVONBTHGNOQAFF,Terpenoids,Diterpenoids,Cyclophytane diterpenoids,Hebeclinium macrophyllum,4728203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Hebeclinium'],['Hebeclinium macrophyllum'],6,1,6.5
989,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,PGKJGDPOHJKPJR-GNUVVZJLSA-N,"InChI=1S/C20H26O4/c1-13-4-8-19(3)16(5-7-18(19,2)12-21)20(13)10-15(24-17(20)22)14-6-9-23-11-14/h5-6,9,11,13,15,21H,4,7-8,10,12H2,1-3H3/t13-,15-,18+,19+,20-/m1/s1",C[C@@H]1CC[C@@]2(C)C(=CC[C@@]2(C)CO)[C@@]12C[C@H](c1ccoc1)OC2=O,C20H26O4,pos_2MMg,330.183109312,PGKJGDPOHJKPJR,Terpenoids,Diterpenoids,,Pteronia incana,1058739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pteronia'],['Pteronia incana'],6,1,6.5
990,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,UDAIPOGMXJGGDN-LBPRGKRZSA-N,"InChI=1S/C20H26O4/c1-11(2)20(21)24-10-15-16-12(3)7-6-8-14(16)18(22-5)19-17(15)13(4)9-23-19/h9,11-12H,6-8,10H2,1-5H3/t12-/m0/s1",COc1c2c(c(COC(=O)C(C)C)c3c(C)coc13)[C@@H](C)CCC2,C20H26O4,pos_2MMg,330.183109312,UDAIPOGMXJGGDN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio coronatus,5794308.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio coronatus'],6,1,6.5
991,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,FVWXABANHCYFTJ-NVNXTCNLSA-N,"InChI=1S/C20H26O4/c1-13-6-5-7-17(16(13)4)10-19-18(14(2)11-23-19)12-24-20(22)9-8-15(3)21/h7-8,11,21H,5-6,9-10,12H2,1-4H3/b15-8-",CC1=C(C)C(Cc2occ(C)c2COC(=O)C/C=C(/C)O)=CCC1,C20H26O4,pos_2MMg,330.183109312,FVWXABANHCYFTJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Senecio glutinosus,540405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio glutinosus'],6,1,6.5
992,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OKMDXLNHYGVDON-AFHBHXEDSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h9-10,13-14,19H,6-8H2,1-5H3/t13-,14-,19+,20+/m0/s1",CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,OKMDXLNHYGVDON,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio asperulus,860810.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio asperulus'],6,1,6.5
993,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OKMDXLNHYGVDON-AFHBHXEDSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h9-10,13-14,19H,6-8H2,1-5H3/t13-,14-,19+,20+/m0/s1",CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,OKMDXLNHYGVDON,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio rosmarinifolius,6056999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio rosmarinifolius'],6,1,6.5
994,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OKMDXLNHYGVDON-AFHBHXEDSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h9-10,13-14,19H,6-8H2,1-5H3/t13-,14-,19+,20+/m0/s1",CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,OKMDXLNHYGVDON,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Zemisia discolor,63633.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Zemisia'],['Zemisia discolor'],6,1,6.5
995,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OKMDXLNHYGVDON-AFHBHXEDSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h9-10,13-14,19H,6-8H2,1-5H3/t13-,14-,19+,20+/m0/s1",CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CCC[C@H](C)[C@@]12C,C20H26O4,pos_2MMg,330.183109312,OKMDXLNHYGVDON,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Lasiocephalus ovatus,187046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Lasiocephalus'],['Lasiocephalus ovatus'],6,1,6.5
996,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OKMDXLNHYGVDON-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h9-10,13-14,19H,6-8H2,1-5H3",CC(C)=CC(=O)OC1c2c(C)coc2C(=O)C2CCCC(C)C21C,C20H26O4,pos_2MMg,330.183109312,OKMDXLNHYGVDON,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon praecox,711405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon praecox'],6,1,6.5
997,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,SQHOBPKFGRIILT-WEDJFCISSA-N,"InChI=1S/C20H26O4/c1-13-5-9-20-12-24-18(22)15(20)3-4-16(21)17(20)19(13,2)8-6-14-7-10-23-11-14/h3,7,10-11,13,16-17,21H,4-6,8-9,12H2,1-2H3/t13-,16+,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.183109312,SQHOBPKFGRIILT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis obtusifolia,7600061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis obtusifolia'],6,1,6.5
998,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,SQHOBPKFGRIILT-WEDJFCISSA-N,"InChI=1S/C20H26O4/c1-13-5-9-20-12-24-18(22)15(20)3-4-16(21)17(20)19(13,2)8-6-14-7-10-23-11-14/h3,7,10-11,13,16-17,21H,4-6,8-9,12H2,1-2H3/t13-,16+,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CC[C@H](O)[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.183109312,SQHOBPKFGRIILT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis linearifolia,7051197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis linearifolia'],6,1,6.5
999,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,AQIUXCCPCWXHJS-WNRRLTEBSA-N,"InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19+,20-/m1/s1",C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.183109312,AQIUXCCPCWXHJS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis obtusifolia,7600061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis obtusifolia'],6,1,6.5
1000,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,AQIUXCCPCWXHJS-WNRRLTEBSA-N,"InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19+,20-/m1/s1",C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.183109312,AQIUXCCPCWXHJS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis linearifolia,7051197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis linearifolia'],6,1,6.5
1001,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,AQIUXCCPCWXHJS-XECGBSKXSA-N,"InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19-,20-/m1/s1",C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.183109312,AQIUXCCPCWXHJS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis crispa,6056160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis crispa'],6,1,6.5
1002,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,AQIUXCCPCWXHJS-WNRRLTEBSA-N,"InChI=1S/C20H26O4/c1-13-16(21)10-20-12-24-18(22)15(20)4-3-5-17(20)19(13,2)8-6-14-7-9-23-11-14/h4,7,9,11,13,16-17,21H,3,5-6,8,10,12H2,1-2H3/t13-,16-,17-,19+,20-/m1/s1",C[C@@H]1[C@H](O)C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O4,pos_2MMg,330.183109312,AQIUXCCPCWXHJS,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis santelicis,5794721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis santelicis'],6,1,6.5
1003,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HXMMJGIMTCOROX-ZWYGKDPNSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,16-18H,5,7,9-10H2,1-4H3/b12-8+,13-11+,14-6-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12,C20H26O4,pos_2MMg,330.183109312,HXMMJGIMTCOROX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Brachylaena neriifolia,1008606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tarchonantheae'],['Brachylaena'],['Brachylaena neriifolia'],6,1,6.5
1004,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HXMMJGIMTCOROX-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-6-14(4)19(21)23-16-10-12(2)8-7-9-13(3)11-17-18(16)15(5)20(22)24-17/h6,8,11,16-18H,5,7,9-10H2,1-4H3",C=C1C(=O)OC2C=C(C)CCC=C(C)CC(OC(=O)C(C)=CC)C12,C20H26O4,pos_2MMg,330.183109312,HXMMJGIMTCOROX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Brachylaena nereifolia,1008606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tarchonantheae'],['Brachylaena'],['Brachylaena neriifolia'],6,1,6.5
1005,5257,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,FWENKENVKHNNFP-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11(2)9-15(21)24-19-16-12(3)10-23-18(16)17(22)14-8-6-7-13(4)20(14,19)5/h8,10-11,13,19H,6-7,9H2,1-5H3",Cc1coc2c1C(OC(=O)CC(C)C)C1(C)C(=CCCC1C)C2=O,C20H26O4,pos_2MMg,330.183109312,FWENKENVKHNNFP,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon praecox,711405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon praecox'],6,1,6.5
1006,5256,234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RTATXGUCZHCSNG-UHFFFAOYSA-N,"InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-15-18(32)21(35)23(37)27(41-15)42-25-19(33)16-13(30)6-12(29)7-14(16)40-24(25)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)C2O)C(O)C(O)C1O,C27H30O15,pos_1_1proton,594.15847026,RTATXGUCZHCSNG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1007,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
1008,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-YIYJKGBESA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
1009,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-UHFFFAOYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3",C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1010,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1011,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
1012,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-YIYJKGBESA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
1013,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1014,5250,-1,,,,0.0,MS1_match,TWXCADQDVNDWNH-KMIUFNCMSA-N,"InChI=1S/C21H30O9/c1-10(8-22)17-18(26)16(12(3)19(27)29-6)15(7-21(17,5)13(4)24)30-20(28)11(2)14(25)9-23/h14-18,22-26H,1-4,7-9H2,5-6H3/t14-,15-,16+,17-,18-,21+/m0/s1",C=C(C(=O)OC)[C@H]1[C@H](O)[C@H](C(=C)CO)[C@@](C)(C(=C)O)C[C@@H]1OC(=O)C(=C)[C@@H](O)CO,C21H30O9,pos_1_1proton1ammonium,426.18898254,TWXCADQDVNDWNH,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea spinosa,569818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea spinosa'],7,0,7.0
1015,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
1016,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-UHFFFAOYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3",C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1017,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1018,5250,-1,,,,0.0,MS1_match,HGFWSEPBYRBDOL-JVEAFJHYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-10,12-19,21-22,24-26H,1,4-6H2,2-3H3/t8-,9+,10+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,HGFWSEPBYRBDOL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1019,5250,-1,,,,0.0,MS1_match,FJROEPPXQDZORC-BMYZHNRGSA-N,"InChI=1S/C21H30O9/c1-9-11-6-12-10(2)18(26)30-21(12,27)8-20(11,3)5-4-13(9)28-19-17(25)16(24)15(23)14(7-22)29-19/h11,13-17,19,22-25,27H,1,4-8H2,2-3H3/t11-,13-,14+,15+,16-,17+,19+,20+,21-/m0/s1",C=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FJROEPPXQDZORC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes japonica,7052196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes japonica'],7,0,7.0
1020,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1021,5250,-1,,,,0.0,MS1_match,NKMTZHWTSVILKU-LMXKRYQVSA-N,"InChI=1S/C19H30O9/c1-9(21)5-6-19-17(2,3)7-10(22)15(18(19,4)28-19)27-16-14(25)13(24)12(23)11(8-20)26-16/h5-6,10-16,20,22-25H,7-8H2,1-4H3/b6-5+/t10-,11+,12+,13-,14+,15-,16-,18-,19+/m0/s1",CC(=O)/C=C/[C@]12O[C@@]1(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CC2(C)C,C19H30O9,pos_1_1proton1acetonitrile,402.18898254,NKMTZHWTSVILKU,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
1022,5250,-1,,,,0.0,MS1_match,FJROEPPXQDZORC-BMYZHNRGSA-N,"InChI=1S/C21H30O9/c1-9-11-6-12-10(2)18(26)30-21(12,27)8-20(11,3)5-4-13(9)28-19-17(25)16(24)15(23)14(7-22)29-19/h11,13-17,19,22-25,27H,1,4-8H2,2-3H3/t11-,13-,14+,15+,16-,17+,19+,20+,21-/m0/s1",C=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FJROEPPXQDZORC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
1023,5250,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
1024,5249,258,Amino acids and Peptides,Small peptides,Dipeptides,0.51539016,ISDB,,,,,,,JMACEDIUUMWDIC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.06156063079834
1025,5248,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.0,MS1_match,LSTDYDRCKUBPDI-UHFFFAOYSA-N,"InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3",CCCCCCCCCCCCCCCCOC(C)=O,C18H36O2,pos_1_1proton1acetonitrile,284.271530392,LSTDYDRCKUBPDI,Fatty acids,Fatty esters,Wax monoesters,Lophyra flexuosa,4591627.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Carabidae'],['Cicindelini'],['Lophyra'],['Lophyra flexuosa'],6,1,6.5
1026,5247,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,YXYJONNKPOKBIN-PNXKIQGHSA-N,"InChI=1S/C21H34O3/c1-15-7-10-18-20(2,3)11-6-12-21(18,4)17(15)9-8-16(14-22)13-19(23)24-5/h7,13,17-18,22H,6,8-12,14H2,1-5H3/b16-13+/t17-,18-,21+/m1/s1",COC(=O)/C=C(/CO)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C,C21H34O3,pos_1_1proton1isopropanol,334.250794948,YXYJONNKPOKBIN,Terpenoids,Diterpenoids,Labdane diterpenoids,Acritopappus confertus,5920784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acritopappus'],['Acritopappus confertus'],6,3,7.5
1027,5246,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.44485188,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Achillea grandifolia,245232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea grandifolia'],4,3,7.279407501220703
1028,5246,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.44485188,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,7.279407501220703
1029,5246,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.44485188,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cuminum cyminum,961856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Cuminum'],['Cuminum cyminum'],4,3,7.279407501220703
1030,5246,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.44485188,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.279407501220703
1031,5246,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.44485188,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Artemisia salsoloides,543049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia salsoloides'],4,3,7.279407501220703
1032,5245,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1033,5245,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1034,5244,227,Terpenoids,Diterpenoids,Labdane diterpenoids,0.24635503,ISDB,BPGDTGZEHASUTP-IVFZHYKMSA-N,"InChI=1S/C27H42O5/c1-8-19(3)25(30)31-17-27(7)23-12-10-20(4)22(11-9-18(2)14-16-28)26(23,6)15-13-24(27)32-21(5)29/h8,14,22-24,28H,4,9-13,15-17H2,1-3,5-7H3/b18-14+,19-8+/t22-,23+,24-,26+,27-/m1/s1",C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@]2(C)COC(=O)/C(C)=C/C)[C@@H]1CC/C(C)=C/CO,C27H42O5,,446.303224444,BPGDTGZEHASUTP,Terpenoids,Diterpenoids,Labdane diterpenoids,Ageratina palmeri,7602639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina palmeri'],1,3,3.4854201078414917
1035,5243,338,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,MJGXIOUQXYXGLP-UHFFFAOYSA-N,"InChI=1S/C10H18O3S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h2-8H2,1H3,(H,12,13)",CSCCCCCCCC(=O)C(=O)O,C10H18O3S,pos_1_1proton1ethylamine,218.097665436,MJGXIOUQXYXGLP,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1036,5239,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,JCSJTDYCNQHPRJ-MMDFAQQLSA-N,"InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6-,7+,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1",O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,C15H26O13,pos_2MHNH3,414.137340892,JCSJTDYCNQHPRJ,Carbohydrates,Saccharides,Disaccharides,Saccharum officinarum,1079465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Saccharum'],['Saccharum officinarum'],6,3,7.5
1037,5236,-1,,,,0.41769987,ISDB,FHXAGOICBFGEBF-BQBZGAKWSA-N,"InChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)O)C(=O)O,C11H17N3O7S,,335.078720884,FHXAGOICBFGEBF,Amino acids and Peptides,Small peptides,Tripeptides,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,0,3.670799493789673
1038,5235,34,Fatty acids,Glycerophospholipids,Glycerophosphates,0.7006283,ISDB,DVNZKWQUAXJYGB-UHFFFAOYSA-N,"InChI=1S/C21H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h3-4,6-7,9-10,20,22H,2,5,8,11-19H2,1H3,(H2,24,25,26)",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O,C21H37O7P,,432.2276901539999,DVNZKWQUAXJYGB,Fatty acids,Glycerophospholipids,Glycerophosphates,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.302513122558594
1039,5234,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.52235323,ISDB,HUSISCNTLUEZCN-JWRMENJJSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3+,7-6+,10-9-/t21-,22+,24-,25-,26+,27+/m0/s1",CC/C=C/C/C=C/C/C=C\CCCCCCCC(=O)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.3141830519999,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Vitis heyneana,568884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis heyneana'],4,1,6.5894129276275635
1040,5234,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.52235323,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],4,1,6.5894129276275635
1041,5234,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.52235323,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,1,6.5894129276275635
1042,5234,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.52235323,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Clinacanthus nutans,129764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Clinacanthus'],['Clinacanthus nutans'],4,1,6.5894129276275635
1043,5234,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.52235323,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Guapira graciliflora,6038299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Guapira'],['Guapira graciliflora'],4,1,6.5894129276275635
1044,5234,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.52235323,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],4,1,6.5894129276275635
1045,5234,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.52235323,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],4,1,6.5894129276275635
1046,5233,-1,,,,0.5498345,ISDB,,,,,,,WEFXZOOWEFIMCT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.199337959289551
1047,5231,-1,,,,0.21044968,ISDB,BGGYAYMMFYBWEX-PJEAHERNSA-N,"InChI=1S/C25H39NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-23(22(28)16-15-18-24(29)30)33-19-21(25(31)32)26-20(2)27/h7-8,10-14,17,21-23,28H,3-6,9,15-16,18-19H2,1-2H3,(H,26,27)(H,29,30)(H,31,32)/b8-7-,11-10-,13-12+,17-14+/t21?,22-,23+/m0/s1",CCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SCC(NC(C)=O)C(=O)O)[C@@H](O)CCCC(=O)O,C25H39NO6S,,481.249808968,BGGYAYMMFYBWEX,Fatty acids,Eicosanoids,Leukotrienes,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,0,1.841798722743988
1048,5230,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.25463554,ISDB,RUOXENRTLGLVCZ-HGFRCQJKSA-N,"InChI=1S/C30H48O4/c1-19(2)22-9-10-25-24(28(22,6)14-13-26(32)33)12-16-29(7)23(11-15-30(25,29)8)20(3)17-21(31)18-27(4,5)34/h10,20,22-24,34H,1,9,11-18H2,2-8H3,(H,32,33)/t20-,22+,23-,24+,28+,29-,30+/m1/s1",C=C(C)[C@@H]1CC=C2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)CC(C)(C)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O,C30H48O4,,472.35526001599993,RUOXENRTLGLVCZ,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Kadsura coccinea,533185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Kadsura'],['Kadsura coccinea'],1,3,3.518542170524597
1049,5227,517,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.0,MS1_match,VJHBTCCKVUQBRP-OXJNMPFZSA-N,"InChI=1S/C20H22O5/c1-11(2)3-5-14-17(22)8-7-13(19(14)23)16-10-25-18-9-12(21)4-6-15(18)20(16)24/h3-4,6-9,16,20-24H,5,10H2,1-2H3/t16-,20+/m0/s1",CC(C)=CCc1c(O)ccc([C@@H]2COc3cc(O)ccc3[C@H]2O)c1O,C20H22O5,pos_2MFe,342.146723804,VJHBTCCKVUQBRP,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,3,9.5
1050,5225,-1,,,,0.0,MS1_match,FNUUELXEOOURSN-NTZNESFSSA-N,"InChI=1S/C14H16N2O6/c17-10-6-11(18)16(12(10)19)13-8(3-5-21-13)7-22-14(20)9-2-1-4-15-9/h1-4,10-11,13,15,17-18H,5-7H2/t10-,11+,13-/m1/s1",O=C(OCC1=CCO[C@H]1N1C(=O)[C@H](O)C[C@@H]1O)c1ccc[nH]1,C14H16N2O6,pos_1_minus1proton1magnesium,308.100836232,FNUUELXEOOURSN,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Brachystemma calycinum,109659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Brachystemma'],['Brachystemma calycinum'],7,0,7.0
1051,5224,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6604974,ISDB,MHXSUTPVPBOLJW-HXPMCKFVSA-N,"InChI=1S/C19H23NO4/c1-20-7-5-11-8-14(23-2)18(22)17-16(11)12(20)9-19(17)6-4-13(21)15(10-19)24-3/h8,10,12,22H,4-7,9H2,1-3H3/t12-,19+/m0/s1",COC1=C[C@@]2(CCC1=O)C[C@H]1c3c(cc(OC)c(O)c32)CCN1C,C19H23NO4,,329.162708216,MHXSUTPVPBOLJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Roemeria hybrida,5727905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Roemeria'],['Roemeria hybrida'],6,3,10.141989707946777
1052,5221,-1,,,,0.0,MS1_match,PATPXUKYSPLHNV-YWAKTFRYSA-N,"InChI=1S/C21H34O4/c1-13(11-18(23)25-6)7-9-15-14(2)8-10-17-20(3,4)19(24)16(22)12-21(15,17)5/h11,15-17,19,22,24H,2,7-10,12H2,1,3-6H3/b13-11+/t15-,16-,17-,19-,21+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](O)[C@@H](O)C[C@]2(C)[C@H]1CC/C(C)=C/C(=O)OC,C21H34O4,pos_1_minus1proton1iron,350.245709568,PATPXUKYSPLHNV,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0
1053,5220,342,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,VPUPJGTWCSYLOM-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-6(8)4-2-3-5-7(9)10/h2,4,6,8H,3,5H2,1H3,(H,9,10)",CC(O)C=CCCC(=O)O,C7H12O3,pos_2MH,144.078644244,VPUPJGTWCSYLOM,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
1054,5220,342,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,GQWLYLDUDAANSJ-UHFFFAOYSA-N,"InChI=1S/C7H12O3/c1-5(2)6(8)3-4-7(9)10/h5H,3-4H2,1-2H3,(H,9,10)",CC(C)C(=O)CCC(=O)O,C7H12O3,pos_2MH,144.078644244,GQWLYLDUDAANSJ,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
1055,5219,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.31559238,ISDB,ZSISCNCQVRABBK-JOCBIADPSA-N,"InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h11,14-15H,4-10H2,1-3H3/t14-,15-,17-,18-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=O)C=C3CC[C@H]21,C18H26O3,,290.188194692,ZSISCNCQVRABBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Agathis macrophylla,1020069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Araucariaceae'],['Unknown'],['Agathis'],['Agathis macrophylla'],1,3,3.7623695135116577
1056,5218,624,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,HLQJCYNRIXWLJK-TUJOXVCQSA-N,"InChI=1S/C27H32O16/c28-7-17-20(34)22(36)24(38)26(41-17)43-25-23(37)21(35)18(8-29)42-27(25)39-10-4-13(32)19-14(33)6-15(40-16(19)5-10)9-1-2-11(30)12(31)3-9/h1-5,15,17-18,20-32,34-38H,6-8H2/t15?,17-,18-,20-,21-,22+,23+,24-,25-,26+,27-/m1/s1",O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C27H32O16,pos_2_2proton,612.169034944,HLQJCYNRIXWLJK,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Globularia alypum,5921385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia alypum'],6,3,7.5
1057,5213,-1,,,,0.33541867,ISDB,IDNFDNMPJCCARF-JVNHZCFISA-N,"InChI=1S/C18H31NO6/c20-9-2-1-4-11-5-3-6-14(22)12(11)7-8-15(23)16-18(25)17(24)13(10-21)19-16/h13,15-21,23-25H,1-10H2/t13-,15-,16-,17-,18-/m1/s1",O=C1CCCC(CCCCO)=C1CC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H31NO6,,357.215137712,IDNFDNMPJCCARF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,0,5.3416746854782104
1058,5213,-1,,,,0.33541867,ISDB,IDNFDNMPJCCARF-UHFFFAOYSA-N,"InChI=1S/C18H31NO6/c20-9-2-1-4-11-5-3-6-14(22)12(11)7-8-15(23)16-18(25)17(24)13(10-21)19-16/h13,15-21,23-25H,1-10H2",O=C1CCCC(CCCCO)=C1CCC(O)C1NC(CO)C(O)C1O,C18H31NO6,,357.215137712,IDNFDNMPJCCARF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,0,5.3416746854782104
1059,5212,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.75362843,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.514513731002808
1060,5212,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.75362843,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.514513731002808
1061,5212,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.75362843,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,3,6.514513731002808
1062,5210,-1,,,,0.0,MS1_match,IJEZFJFCQWYKEM-ITLSJTBUSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_1proton1ammonium,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
1063,5210,-1,,,,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_1_1proton1ammonium,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0
1064,5209,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7679737,ISDB,YDDUMTOHNYZQPO-RVXRWRFUSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](OC(=O)/C=C/c2ccc(O)c(O)c2)(C(=O)O)C[C@@H](O)[C@@H]1O,C25H24O12,,516.126776208,YDDUMTOHNYZQPO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.571894884109497
1065,5204,242,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,PXTQTPSOXAZCQC-AMMQDNIMSA-N,"InChI=1S/C27H33N3O6/c1-34-21-9-6-19-7-10-25(31)30-15-5-13-28-12-3-4-14-29-26(32)11-8-20-17-23(35-2)27(33)24(18-20)36-22(21)16-19/h6-11,16-18,28,33H,3-5,12-15H2,1-2H3,(H,29,32)(H,30,31)/b10-7+,11-8+",COc1ccc2cc1Oc1cc(cc(OC)c1O)/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/2,C27H33N3O6,pos_1_1proton1methanol,495.236935776,PXTQTPSOXAZCQC,Alkaloids,Ornithine alkaloids,Polyamines,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],6,3,7.5
1066,5202,636,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,0.0,MS1_match,OIVNJISRNHOMGU-MVGTYIKUSA-N,"InChI=1S/C15H22O7/c1-5-14(3)6-8(16)10(15(4,22)13(20)21)11(17)9(14)7(2)12(18)19/h5,8-11,16-17,22H,1-2,6H2,3-4H3,(H,18,19)(H,20,21)/t8-,9+,10+,11+,14+,15-/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]([C@](C)(O)C(=O)O)[C@H](O)[C@H]1C(=C)C(=O)O,C15H22O7,pos_1_1proton1methanol,314.136553044,OIVNJISRNHOMGU,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,3,8.5
1067,5201,307,Terpenoids,Aromatic polyketides,Catechols with side chains,0.0,MS1_match,PVDSMCHCJKSFPO-UHFFFAOYSA-N,"InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(28)29-20-15-16-22-18-19-23(26)24(27)21-22/h18-19,21,26-27H,2-17,20H2,1H3",CCCCCCCCCCCCCCCC(=O)OCCCc1ccc(O)c(O)c1,C25H42O4,pos_1_1proton1methanol,406.308309824,PVDSMCHCJKSFPO,Polyketides,Aromatic polyketides,Catechols with side chains,Phonus arborescens,180785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Phonus'],['Phonus arborescens'],7,3,8.5
1068,5199,342,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,AQSPKQLQWIQRJJ-WKINKLLYSA-N,"InChI=1S/C13H20O5/c1-8(14)4-5-13(17)11(2)6-9(15)7-12(13,3)18-10(11)16/h4-5,8-9,14-15,17H,6-7H2,1-3H3/b5-4+/t8-,9+,11-,12-,13+/m1/s1",C[C@@H](O)/C=C/[C@@]1(O)[C@@]2(C)C[C@@H](O)C[C@]1(C)C(=O)O2,C13H20O5,pos_1_1proton1methanol,256.13107374,AQSPKQLQWIQRJJ,Terpenoids,,,Silene baccifera,728693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene baccifera'],6,1,6.5
1069,5196,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)",NCCCCNC(=O)C=Cc1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.517880439758301
1070,5196,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.517880439758301
1071,5196,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.517880439758301
1072,5195,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,SZLIWAKTUJFFNX-HNNXBMFYSA-N,"InChI=1S/C17H26O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3/t15-/m0/s1",CC(C)CCC[C@H](C)CCOC(=O)c1ccccc1,C17H26O2,pos_2_2sodium,262.193280072,SZLIWAKTUJFFNX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,2,7.0
1073,5195,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_1_1proton1ammonium,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,2,7.0
1074,5195,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,GPSDUZXPYCFOSQ-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",Cc1cccc(C(=O)O)c1,C8H8O2,pos_1_1proton1ammonium,136.052429496,GPSDUZXPYCFOSQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],6,2,7.0
1075,5191,164,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_1_1proton1isopropanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
1076,5186,-1,,,,0.0,MS1_match,IFAFXSQFSWYJGN-OXGFAMPJSA-N,"InChI=1S/C48H76O21/c1-43(2)11-13-48(42(63)69-40-36(60)33(57)30(54)25(67-40)19-64-38-34(58)31(55)28(52)23(17-49)65-38)14-12-45(4)20(21(48)15-43)7-8-26-44(3)16-22(51)37(47(6,41(61)62)27(44)9-10-46(26,45)5)68-39-35(59)32(56)29(53)24(18-50)66-39/h7,21-40,49-60H,8-19H2,1-6H3,(H,61,62)/t21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38+,39-,40-,44+,45+,46+,47-,48-/m0/s1",CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2C1,C48H76O21,pos_2_1proton1potassium,988.487909452,IFAFXSQFSWYJGN,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aster ageratoides,129768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster ageratoides'],6,0,6.0
1077,5182,-1,,,,0.26033786,ISDB,MMAWDOHNXONWOF-UFOPBENGSA-N,"InChI=1S/C22H34O9/c1-12-7-9-16(10-8-12)22(5,6)31-21-18(26)20(29-15(4)25)19(28-14(3)24)17(30-21)11-27-13(2)23/h7,16-21,26H,8-11H2,1-6H3/t16-,17-,18-,19-,20-,21+/m1/s1",CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC=C(C)CC2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C22H34O9,,442.2202826679998,MMAWDOHNXONWOF,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Roldana angulifolia,5794257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana angulifolia'],4,0,5.0413514375686646
1078,5181,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.55199087,ISDB,UXMMIMGEKFYPFK-UHFFFAOYSA-N,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCC#CCCCCC(=O)O,C18H26O2,,274.193280072,UXMMIMGEKFYPFK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Dicranum scoparium,195712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Dicranales'],['Dicranaceae'],['Unknown'],['Dicranum'],['Dicranum scoparium'],1,3,4.707963466644287
1079,5180,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96245533,ISDB,YLWQTYZKYGNKPI-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O12,,464.0954760799998,YLWQTYZKYGNKPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],4,3,9.349821329116821
1080,5180,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96245533,ISDB,YLWQTYZKYGNKPI-WNZLTNKYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21+/m1/s1",O=c1c(O)c(-c2ccc(O)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O12,,464.0954760799998,YLWQTYZKYGNKPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Gossypium arboreum,625750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium arboreum'],4,3,9.349821329116821
1081,5180,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96245533,ISDB,YLWQTYZKYGNKPI-WNZLTNKYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21+/m1/s1",O=c1c(O)c(-c2ccc(O)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O12,,464.0954760799998,YLWQTYZKYGNKPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Caragana pygmaea,232427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Caragana'],['Caragana pygmaea'],4,3,9.349821329116821
1082,5180,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96245533,ISDB,YLWQTYZKYGNKPI-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O12,,464.0954760799998,YLWQTYZKYGNKPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,3,9.349821329116821
1083,5180,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96245533,ISDB,YLWQTYZKYGNKPI-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-3-7(1-2-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O12,,464.0954760799998,YLWQTYZKYGNKPI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],4,3,9.349821329116821
1084,5177,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,RSGPQSLXBAUYHJ-QPFXKEKASA-N,"InChI=1S/C25H46O12/c1-2-3-4-5-6-7-8-9-10-11-12-15(27)36-23-20(32)18(30)19(31)21(33)24(23)37-25-22(34)17(29)16(28)14(13-26)35-25/h14,16-26,28-34H,2-13H2,1H3/t14-,16+,17+,18-,19+,20-,21+,22-,23-,24+,25+/m1/s1",CCCCCCCCCCCCC(=O)O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C25H46O12,pos_1_1proton1acetonitrile,538.298926912,RSGPQSLXBAUYHJ,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0
1085,5174,-1,,,,0.6394781,ISDB,WJXSWCUQABXPFS-UHFFFAOYSA-N,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",Nc1c(O)cccc1C(=O)O,C7H7NO3,,153.042593084,WJXSWCUQABXPFS,Amino acids and Peptides,Small peptides,Aminoacids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,0,3.5579123497009277
1086,5174,-1,,,,0.6394781,ISDB,WJXSWCUQABXPFS-UHFFFAOYSA-N,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",Nc1c(O)cccc1C(=O)O,C7H7NO3,,153.042593084,WJXSWCUQABXPFS,Amino acids and Peptides,Small peptides,Aminoacids,Phycomyces blakesleeanus,735973.0,['Eukaryota'],['Fungi'],['Unknown'],['Mucoromycetes'],['Mucorales'],['Phycomycetaceae'],['Unknown'],['Phycomyces'],['Phycomyces blakesleeanus'],1,0,3.5579123497009277
1087,5174,-1,,,,0.6394781,ISDB,WJXSWCUQABXPFS-UHFFFAOYSA-N,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",Nc1c(O)cccc1C(=O)O,C7H7NO3,,153.042593084,WJXSWCUQABXPFS,Amino acids and Peptides,Small peptides,Aminoacids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],1,0,3.5579123497009277
1088,5174,-1,,,,0.6394781,ISDB,WJXSWCUQABXPFS-UHFFFAOYSA-N,"InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)",Nc1c(O)cccc1C(=O)O,C7H7NO3,,153.042593084,WJXSWCUQABXPFS,Amino acids and Peptides,Small peptides,Aminoacids,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],1,0,3.5579123497009277
1089,5173,-1,,,,0.0,MS1_match,NVEWKQZGZJWFKH-MSGZUBATSA-N,"InChI=1S/C18H30O9/c1-8(2)15(20)25-12-11(7-19)24-18(23)14(27-17(22)10(5)6)13(12)26-16(21)9(3)4/h8-14,18-19,23H,7H2,1-6H3/t11-,12-,13+,14-,18-/m1/s1",CC(C)C(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](O)O[C@H](CO)[C@H]1OC(=O)C(C)C,C18H30O9,pos_1_1proton1ammonium,390.18898254,NVEWKQZGZJWFKH,,,,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
1090,5171,471,Fatty acids,Sphingolipids,Sphingoid bases,0.33172157,ISDB,WWGVMWNCEFTAEP-AXPXABNXSA-N,"InChI=1S/C21H37N3/c1-17(2)9-7-11-19(5)13-15-23-21(22)24-16-14-20(6)12-8-10-18(3)4/h9-10,13-14H,7-8,11-12,15-16H2,1-6H3,(H3,22,23,24)/b19-13-,20-14-",CC(C)=CCC/C(C)=C\CNC(=N)NC/C=C(/C)CCC=C(C)C,C21H37N3,,331.298748184,WWGVMWNCEFTAEP,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Pterogyne nitens,946962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Pterogyne'],['Pterogyne nitens'],1,0,2.326886296272278
1091,5169,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,LHGVFZTZFXWLCP-UHFFFAOYSA-N,"InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3",COc1ccccc1O,C7H8O2,pos_2MH,124.052429496,LHGVFZTZFXWLCP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
1092,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
1093,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
1094,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
1095,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,3,8.5
1096,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
1097,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
1098,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,3,8.5
1099,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
1100,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,3,8.5
1101,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
1102,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
1103,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
1104,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
1105,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-UHFFFAOYSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1106,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,3,8.5
1107,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,3,8.5
1108,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-GYRMMRJHSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9?,11+,12?,13?,14-/m1/s1",C=C1C[C@H](O)C2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@H]2C,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
1109,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
1110,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
1111,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,3,8.5
1112,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,3,8.5
1113,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
1114,5168,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
1115,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,8.733726024627686
1116,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,8.733726024627686
1117,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,8.733726024627686
1118,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.733726024627686
1119,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,8.733726024627686
1120,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.733726024627686
1121,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.733726024627686
1122,5167,229,Amino acids and Peptides,Small peptides,Dipeptides,0.8084315,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.733726024627686
1123,5163,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-YTFRHVLBSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19-,21-,22?,23?,24?,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@H](O)C(O)C2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439998,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Herniaria fontanesii,5728620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria fontanesii'],6,0,6.0
1124,5163,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-YTFRHVLBSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19-,21-,22?,23?,24?,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@H](O)C(O)C2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439998,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Herniaria fontanesii,5728620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria fontanesii'],6,0,6.0
1125,5163,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-YTFRHVLBSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19-,21-,22?,23?,24?,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@H](O)C(O)C2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439998,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Herniaria fontanesii,5728620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria fontanesii'],6,0,6.0
1126,5163,-1,,,,0.0,MS1_match,AXXQQGBQPBSIBA-UHFFFAOYSA-N,"InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3",COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)ccc1O,C28H32O16,pos_1_1proton,624.169034944,AXXQQGBQPBSIBA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Spergularia rubra,1095840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sperguleae'],['Spergularia'],['Spergularia rubra'],6,0,6.0
1127,5163,-1,,,,0.0,MS1_match,AXXQQGBQPBSIBA-UHFFFAOYSA-N,"InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3",COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)ccc1O,C28H32O16,pos_1_1proton,624.169034944,AXXQQGBQPBSIBA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Spergularia rubra,1095840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sperguleae'],['Spergularia'],['Spergularia rubra'],6,0,6.0
1128,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
1129,5162,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0
1130,5162,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
1131,5162,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-FOAHKCLGSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118359999,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0
1132,5162,-1,,,,0.0,MS1_match,NCIZYLQHZNMNLA-QODFVGATSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(45)30(43)27(17-41)49-36)50-35-33(46)31(44)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,NCIZYLQHZNMNLA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
1133,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
1134,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0
1135,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0
1136,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0
1137,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0
1138,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0
1139,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
1140,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0
1141,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
1142,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
1143,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
1144,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
1145,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
1146,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
1147,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum palinacanthum,882310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum palinacanthum'],8,0,8.0
1148,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0
1149,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0
1150,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum suaveolens,70348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum suaveolens'],8,0,8.0
1151,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0
1152,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
1153,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-UZQYXAGOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20-,22-,23?,24?,25?,26?,27+,28?,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39?/m0/s1",CC1CCC2(NC1)OC1CC3C4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)C4CC[C@]3(C)C1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0
1154,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-LRHBBOIQSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19-,20-,22-,23+,24-,25-,26-,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
1155,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
1156,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-SHVYJSDJSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18?,19?,20?,22?,23-,24-,25+,26+,27?,28-,29?,30?,31?,32?,33?,34?,35?,36?,37+,38+,39-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C39H63NO11,pos_1_1proton,721.440111836,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
1157,5162,-1,,,,0.0,MS1_match,KRQDMAXNTWLTDZ-HCTICQNOSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-33(46)31(44)34(27(17-41)49-36)50-35-32(45)30(43)29(42)20(3)47-35/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37+,38+,39-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H63NO11,pos_1_1proton,721.4401118360001,KRQDMAXNTWLTDZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
1158,5162,-1,,,,0.0,MS1_match,SGEKLQMLYWFVFY-CKSWOKIPSA-N,"InChI=1S/C39H63NO11/c1-18-8-13-39(40-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-33(45)34(29(41)20(3)48-36)47-17-27-30(42)31(43)32(44)35(46)50-27/h6,18-20,22-36,40-46H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24-,25-,26+,27-,28-,29+,30-,31+,32-,33-,34-,35-,36-,37-,38-,39+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](OC[C@@H]7O[C@H](O)[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C,C39H63NO11,pos_1_1proton,721.440111836,SGEKLQMLYWFVFY,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
1159,5159,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1160,5159,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1161,5153,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1162,5149,216,Terpenoids,Meroterpenoids,Catechols with side chains,0.63878924,ISDB,,,,,,,BAKUYTLDCVITBO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.555156946182251
1163,5148,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
1164,5148,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
1165,5148,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,HLVPIMVSSMJFPS-VTEUUMMASA-N,"InChI=1S/C21H30O9/c1-11(5-6-21(28)12(2)8-13(23)9-20(21,3)4)7-15(24)30-19-18(27)17(26)16(25)14(10-22)29-19/h5-8,14,16-19,22,25-28H,9-10H2,1-4H3/b6-5+,11-7-/t14-,16-,17+,18-,19+,21-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O9,pos_1_1proton1methanol,426.1889825399999,HLVPIMVSSMJFPS,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
1166,5146,301,Amino acids and Peptides,Small peptides,Tripeptides,0.896116,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,3,11.084464073181152
1167,5146,301,Amino acids and Peptides,Small peptides,Tripeptides,0.896116,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,11.084464073181152
1168,5142,-1,,,,0.0,MS1_match,IQYYAZNEJJZDLV-LFKMRFHZSA-N,"InChI=1S/C26H28O14/c1-9-17(31)20(34)21(35)25(37-9)40-24-18(32)14(30)8-36-26(24)39-23-19(33)16-13(29)6-12(28)7-15(16)38-22(23)10-2-4-11(27)5-3-10/h2-7,9,14,17-18,20-21,24-32,34-35H,8H2,1H3/t9-,14-,17-,18-,20+,21+,24+,25-,26-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C26H28O14,pos_1_1proton,564.147905576,IQYYAZNEJJZDLV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lobularia maritima,213304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Anastaticeae'],['Lobularia'],['Lobularia maritima'],6,0,6.0
1169,5142,-1,,,,0.0,MS1_match,DQBVFTJNUYZVQL-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)38-12-6-13(28)16-15(7-12)39-23(10-2-4-11(27)5-3-10)24(19(16)32)40-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3",CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,C26H28O14,pos_1_1proton,564.147905576,DQBVFTJNUYZVQL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lepidium perfoliatum,107759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium perfoliatum'],6,0,6.0
1170,5142,-1,,,,0.0,MS1_match,DQBVFTJNUYZVQL-UHFFFAOYSA-N,"InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)38-12-6-13(28)16-15(7-12)39-23(10-2-4-11(27)5-3-10)24(19(16)32)40-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3",CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,C26H28O14,pos_1_1proton,564.147905576,DQBVFTJNUYZVQL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Lepidium perfoliatum,107759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium perfoliatum'],6,0,6.0
1171,5142,-1,,,,0.0,MS1_match,CHFRWKVICNHHDN-NQMVIOCRSA-N,"InChI=1S/C26H28O14/c27-8-14-17(31)20(34)25(37-14)39-23-15(9-28)38-26(21(35)19(23)33)40-24-18(32)16-12(30)6-11(29)7-13(16)36-22(24)10-4-2-1-3-5-10/h1-7,14-15,17,19-21,23,25-31,33-35H,8-9H2/t14-,15+,17+,19+,20-,21+,23+,25+,26-/m1/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(-c2ccccc2)oc2cc(O)cc(O)c12,C26H28O14,pos_1_1proton,564.1479055759999,CHFRWKVICNHHDN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Armoracia rusticana,309283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Armoracia'],['Armoracia rusticana'],6,0,6.0
1172,5142,-1,,,,0.0,MS1_match,RVWLTFGJPNHVOT-JMZFCNQTSA-N,"InChI=1S/C17H33NO11S3/c1-31(23,24)10-8-6-4-2-3-5-7-9-13(18-29-32(25,26)27)30-17-16(22)15(21)14(20)12(11-19)28-17/h12,14-17,19-22H,2-11H2,1H3,(H,25,26,27)/b18-13-/t12-,14-,15+,16-,17+/m1/s1",CS(=O)(=O)CCCCCCCCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H33NO11S3,pos_1_1proton1acetonitrile,523.121573876,RVWLTFGJPNHVOT,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,Brassica juncea,309279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica juncea'],6,0,6.0
1173,5141,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.26131913,ISDB,,,,,,,QOOGISBTFHQARO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0452765226364136
1174,5138,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KLXHCGFNNUQTEY-UHFFFAOYSA-N,"InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3",COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1,C13H16O5,pos_1_1proton2acetonitrile,252.099773612,KLXHCGFNNUQTEY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aragoa lucidula,5783470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Aragoa'],['Aragoa lucidula'],6,3,7.5
1175,5137,-1,,,,0.0,MS1_match,OHTGZAWPVDWARE-WUJLRWPWSA-N,"InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5+/m1/s1",C[C@@]1(O)C(=O)OC[C@H]1O,C5H8O4,pos_2MK,132.042258736,OHTGZAWPVDWARE,,,,Xanthium strumarium,709045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium strumarium'],6,0,6.0
1176,5137,-1,,,,0.0,MS1_match,OHTGZAWPVDWARE-NQXXGFSBSA-N,"InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m1/s1",C[C@]1(O)C(=O)OC[C@H]1O,C5H8O4,pos_2MK,132.042258736,OHTGZAWPVDWARE,,,,Hymenoxys richardsonii,3900052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Hymenoxys'],['Hymenoxys richardsonii'],6,0,6.0
1177,5137,-1,,,,0.0,MS1_match,OHTGZAWPVDWARE-NQXXGFSBSA-N,"InChI=1S/C5H8O4/c1-5(8)3(6)2-9-4(5)7/h3,6,8H,2H2,1H3/t3-,5-/m1/s1",C[C@]1(O)C(=O)OC[C@H]1O,C5H8O4,pos_2MK,132.042258736,OHTGZAWPVDWARE,,,,Anaphalis margaritacea,592636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Anaphalis'],['Anaphalis margaritacea'],6,0,6.0
1178,5137,-1,,,,0.0,MS1_match,UYQUBLIVXOKOHE-UHFFFAOYSA-N,"InChI=1S/C13H12O7/c1-17-8-4-7(15)6(5-14)9-10(8)20-13(16)12(19-3)11(9)18-2/h4-5,15H,1-3H3",COc1c(OC)c2c(C=O)c(O)cc(OC)c2oc1=O,C13H12O7,pos_1_1sodium,280.058302724,UYQUBLIVXOKOHE,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Perezia pinnatifida,71761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Perezia'],['Perezia pinnatifida'],6,0,6.0
1179,5137,-1,,,,0.0,MS1_match,UYQUBLIVXOKOHE-UHFFFAOYSA-N,"InChI=1S/C13H12O7/c1-17-8-4-7(15)6(5-14)9-10(8)20-13(16)12(19-3)11(9)18-2/h4-5,15H,1-3H3",COc1c(OC)c2c(C=O)c(O)cc(OC)c2oc1=O,C13H12O7,pos_1_1sodium,280.058302724,UYQUBLIVXOKOHE,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Perezia coerulescens,1017165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Perezia'],['Perezia coerulescens'],6,0,6.0
1180,5137,-1,,,,0.0,MS1_match,GQZSWAUXOGYGQA-UAIFUYIPSA-N,"InChI=1S/C26H24O14/c27-11-18-21-22(37-19(32)7-3-12-1-5-14(28)16(30)9-12)23(24(34)26(39-18,40-21)25(35)36)38-20(33)8-4-13-2-6-15(29)17(31)10-13/h1-10,18,21-24,27-31,34H,11H2,(H,35,36)/b7-3+,8-4+/t18-,21-,22+,23+,24-,26+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@]2(C(=O)O)O[C@@H]1[C@@H](CO)O2,C26H24O14,pos_2_2sodium,560.116605448,GQZSWAUXOGYGQA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Smallanthus sonchifolius,550168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus sonchifolius'],6,0,6.0
1181,5136,403,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,0.0,MS1_match,XXWIUGNNANJILR-SNVBAGLBSA-N,"InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,10,12H/t10-/m1/s1",O=C1C=C(c2ccccc2)[C@H](O)O1,C10H8O3,pos_1_1proton,176.047344116,XXWIUGNNANJILR,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],6,3,7.5
1182,5134,-1,,,,0.0,MS1_match,RQRYYNCRMSFECR-VKKPVAOGSA-N,"InChI=1S/C15H23NO5/c1-4-16-13(19)11-9-8-21-15(20-3,12(9)18)10(17)6-5-7-14(11,16)2/h10,12,17-18H,4-8H2,1-3H3/b11-9-/t10-,12-,14+,15-/m0/s1",CCN1C(=O)/C2=C3\CO[C@@](OC)([C@@H](O)CCC[C@]21C)[C@H]3O,C15H23NO5,pos_1_1proton,297.15762283600003,RQRYYNCRMSFECR,Terpenoids,,,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,0,7.0
1183,5134,-1,,,,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
1184,5134,-1,,,,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
1185,5134,-1,,,,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
1186,5134,-1,,,,0.0,MS1_match,YIRQAQBMBKUQDI-JGGVDJITSA-N,"InChI=1S/C15H20O5/c1-8-13-10(17)6-15(2)12(20-15)4-3-9(7-16)5-11(13)19-14(8)18/h5,10-13,16-17H,1,3-4,6-7H2,2H3/b9-5-/t10-,11+,12+,13+,15-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC[C@H]3O[C@@]3(C)C[C@H](O)[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,YIRQAQBMBKUQDI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
1187,5134,-1,,,,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1ammonium,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
1188,5134,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
1189,5134,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
1190,5134,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
1191,5134,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,7.0
1192,5134,-1,,,,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
1193,5134,-1,,,,0.0,MS1_match,PJDABWGWSDUIAM-YGZRBXPVSA-N,"InChI=1S/C15H20O5/c1-7-11-9(17)5-15(2)10(18)4-3-8(6-16)12(15)13(11)20-14(7)19/h6,8-13,17-18H,1,3-5H2,2H3/t8-,9-,10+,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](C=O)CC[C@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,PJDABWGWSDUIAM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,0,7.0
1194,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
1195,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,3,8.5
1196,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,3,8.5
1197,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QKZAGVAREZGRQW-MAEJKLRXSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-11(6-16)15(18)19-14(9)13-8(2)12(17)5-10(7)13/h8,10,12-14,16-17H,1,3-6H2,2H3/t8-,10+,12-,13+,14+/m0/s1",C=C1CCC2=C(CO)C(=O)O[C@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,QKZAGVAREZGRQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,3,8.5
1198,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
1199,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
1200,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
1201,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-WWRXHXRLSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(=C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
1202,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
1203,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,3,8.5
1204,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
1205,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,3,8.5
1206,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,3,8.5
1207,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,8.5
1208,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1209,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1210,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,3,8.5
1211,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,3,8.5
1212,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
1213,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FHYQPZNZWJKLKK-FUCUMGKVSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
1214,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,3,8.5
1215,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-LUQFHCQZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8+,9+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1216,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1217,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,3,8.5
1218,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FHYQPZNZWJKLKK-HGVZAONGSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10-,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
1219,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-CDUHWDNDSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8-,9-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
1220,5133,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
1221,5132,-1,,,,0.43489504,ISDB,NGVOPKDYDKTASH-RGRKKRSMSA-N,"InChI=1S/C21H34O4/c1-3-4-5-6-7-11-14-19(22)20(24-2)17-16-18-13-10-8-9-12-15-21(23)25-18/h7-8,10-11,16-20,22H,3-6,9,12-15H2,1-2H3/b10-8?,11-7?,17-16+/t18-,19-,20?/m0/s1",CCCCCC=CC[C@H](O)C(/C=C/[C@@H]1CC=CCCCC(=O)O1)OC,C21H34O4,,350.245709568,NGVOPKDYDKTASH,Fatty acids,Eicosanoids,Thromboxanes,Topsentia,303880.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Topsentia'],['Unknown'],2,0,3.7395801544189453
1222,5131,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.3168297,ISDB,VMTKGTHHOWQTRO-LLVKDONJSA-N,"InChI=1S/C16H22O/c1-10(2)13-7-6-11(3)14-9-16(17-5)12(4)8-15(13)14/h7-11H,6H2,1-5H3/t11-/m1/s1",COc1cc2c(cc1C)C(C(C)C)=CC[C@H]2C,C16H22O,,230.167065324,VMTKGTHHOWQTRO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lemnalia cervicornis,4713433.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia cervicornis'],2,2,4.267318844795227
1223,5129,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MMDUKUSNQNWVET-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,MMDUKUSNQNWVET,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1224,5129,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MMDUKUSNQNWVET-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,MMDUKUSNQNWVET,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1225,5129,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OVMFOVNOXASTPA-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,OVMFOVNOXASTPA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1226,5129,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OVMFOVNOXASTPA-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,OVMFOVNOXASTPA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1227,5129,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MMDUKUSNQNWVET-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,MMDUKUSNQNWVET,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1228,5129,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OVMFOVNOXASTPA-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,OVMFOVNOXASTPA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1229,5128,-1,,,,0.0,MS1_match,ZQRRKBGCYMUFFE-YJWMFZRXSA-N,"InChI=1S/C19H28O9/c1-4-26-18-15(22)14(10-21)27-19(16(18)23)28-17-12(24-2)8-11(6-5-7-20)9-13(17)25-3/h5-6,8-9,14-16,18-23H,4,7,10H2,1-3H3/b6-5+/t14-,15-,16-,18+,19+/m1/s1",CCO[C@@H]1[C@@H](O)[C@H](Oc2c(OC)cc(/C=C/CO)cc2OC)O[C@H](CO)[C@H]1O,C19H28O9,pos_1_1proton1ethylamine,400.1733324759999,ZQRRKBGCYMUFFE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
1230,5128,-1,,,,0.0,MS1_match,PPEZJRDHOXFQGZ-JMDOUTEASA-N,"InChI=1S/C21H32O9/c1-10-12-6-5-11(4-3-7-21(2)18(30-21)17(12)29-19(10)26)9-27-20-16(25)15(24)14(23)13(8-22)28-20/h4,10,12-18,20,22-25H,3,5-9H2,1-2H3/b11-4-/t10-,12-,13-,14-,15+,16-,17-,18+,20-,21+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=C/CC[C@@]1(C)O[C@H]21,C21H32O9,pos_1_1proton1ammonium,428.204632604,PPEZJRDHOXFQGZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hirtellina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
1231,5128,-1,,,,0.0,MS1_match,BOYYQYRAKVYWCI-WCRLOTECSA-N,"InChI=1S/C21H32O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C21H32O9,pos_1_1proton1ammonium,428.204632604,BOYYQYRAKVYWCI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1232,5128,-1,,,,0.0,MS1_match,PPEZJRDHOXFQGZ-JMDOUTEASA-N,"InChI=1S/C21H32O9/c1-10-12-6-5-11(4-3-7-21(2)18(30-21)17(12)29-19(10)26)9-27-20-16(25)15(24)14(23)13(8-22)28-20/h4,10,12-18,20,22-25H,3,5-9H2,1-2H3/b11-4-/t10-,12-,13-,14-,15+,16-,17-,18+,20-,21+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1CC/C(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=C/CC[C@@]1(C)O[C@H]21,C21H32O9,pos_1_1proton1ammonium,428.204632604,PPEZJRDHOXFQGZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Staehelina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
1233,5128,-1,,,,0.0,MS1_match,BOYYQYRAKVYWCI-WCRLOTECSA-N,"InChI=1S/C21H32O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C21H32O9,pos_1_1proton1ammonium,428.204632604,BOYYQYRAKVYWCI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1234,5125,-1,,,,0.0,MS1_match,ONKIQNFPVXNOBV-YGEZULPYSA-N,"InChI=1S/C14H18O8/c1-20-13(19)7-4-2-3-5-8(7)21-14-12(18)11(17)10(16)9(6-15)22-14/h2-5,9-12,14-18H,6H2,1H3/t9-,10-,11+,12-,14-/m1/s1",COC(=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O8,pos_1_1potassium,314.100167536,ONKIQNFPVXNOBV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Mallotus metcalfianus,107501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus metcalfianus'],6,0,6.0
1235,5125,-1,,,,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1sodium,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
1236,5125,-1,,,,0.0,MS1_match,LUJAXSNNYBCFEE-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,LUJAXSNNYBCFEE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Macaranga triloba,504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga triloba'],6,0,6.0
1237,5125,-1,,,,0.0,MS1_match,LUJAXSNNYBCFEE-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,LUJAXSNNYBCFEE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Croton gratissimus,528092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton gratissimus'],6,0,6.0
1238,5125,-1,,,,0.0,MS1_match,LUJAXSNNYBCFEE-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,LUJAXSNNYBCFEE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Croton schiedeanus,749172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton schiedeanus'],6,0,6.0
1239,5125,-1,,,,0.0,MS1_match,LUJAXSNNYBCFEE-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3",COc1cc(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,LUJAXSNNYBCFEE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0
1240,5125,-1,,,,0.0,MS1_match,MYMGKIQXYXSRIJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-10(18)12(5-8)23-2/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(OC)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,MYMGKIQXYXSRIJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salpiglossis sinuata,925270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Salpiglossideae'],['Salpiglossis'],['Salpiglossis sinuata'],6,0,6.0
1241,5125,-1,,,,0.0,MS1_match,AOFQCVDYMNHCKD-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-12-6-9(18)7-13-14(12)15(21)17(23-2)16(24-13)8-3-4-10(19)11(20)5-8/h3-7,18-20H,1-2H3",COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC)c2c1=O,C17H14O7,pos_1_1sodium,330.073952788,AOFQCVDYMNHCKD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salpiglossis sinuata,925270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Salpiglossideae'],['Salpiglossis'],['Salpiglossis sinuata'],6,0,6.0
1242,5125,-1,,,,0.0,MS1_match,FMEHGPQTMOPUGM-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-12-5-8(3-4-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1O,C17H14O7,pos_1_1sodium,330.073952788,FMEHGPQTMOPUGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
1243,5125,-1,,,,0.0,MS1_match,ZSPZNFOLWQEVQJ-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-12-4-3-8(5-10(12)19)16-17(23-2)15(21)14-11(20)6-9(18)7-13(14)24-16/h3-7,18-20H,1-2H3",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1O,C17H14O7,pos_1_1sodium,330.073952788,ZSPZNFOLWQEVQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Croton gratissimus,528092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton gratissimus'],6,0,6.0
1244,5125,-1,,,,0.0,MS1_match,BWORNNDZQGOKBY-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,BWORNNDZQGOKBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Physalis lagascae,298450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis lagascae'],6,0,6.0
1245,5125,-1,,,,0.0,MS1_match,BWORNNDZQGOKBY-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,BWORNNDZQGOKBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Physalis alkekengi,925265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0
1246,5125,-1,,,,0.0,MS1_match,BWORNNDZQGOKBY-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,BWORNNDZQGOKBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Physalis minima,940395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis minima'],6,0,6.0
1247,5125,-1,,,,0.0,MS1_match,BWORNNDZQGOKBY-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3",COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)c(O)c3)oc2c1,C17H14O7,pos_1_1sodium,330.073952788,BWORNNDZQGOKBY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Alkekengi officinarum var. franchetii,83948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Alkekengi'],['Alkekengi officinarum'],6,0,6.0
1248,5125,-1,,,,0.0,MS1_match,KZMACGJDUUWFCH-UHFFFAOYSA-O,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O)cc(OC)c1O,C17H15O7+,pos_1_1sodium,331.08122924008995,KZMACGJDUUWFCH,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
1249,5124,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.7832549,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,11.13301968574524
1250,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],7,3,8.5
1251,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QPHXPNUXTNHJOF-NBLZTSJTSA-N,"InChI=1S/C21H20O11/c1-7-15(25)17(27)19(29)21(30-7)31-9-5-12(24)14-13(6-9)32-20(18(28)16(14)26)8-2-3-10(22)11(23)4-8/h2-7,15,17,19,21-25,27-29H,1H3/t7-,15-,17-,19+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@H]1O,C21H20O11,pos_1_1proton1methanol,448.1005614599999,QPHXPNUXTNHJOF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1252,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],7,3,8.5
1253,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1254,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton1methanol,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1255,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton1methanol,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1256,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QPHXPNUXTNHJOF-NBLZTSJTSA-N,"InChI=1S/C21H20O11/c1-7-15(25)17(27)19(29)21(30-7)31-9-5-12(24)14-13(6-9)32-20(18(28)16(14)26)8-2-3-10(22)11(23)4-8/h2-7,15,17,19,21-25,27-29H,1H3/t7-,15-,17-,19+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@H]1O,C21H20O11,pos_1_1proton1methanol,448.1005614599999,QPHXPNUXTNHJOF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1257,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],7,3,8.5
1258,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1259,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],7,3,8.5
1260,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1261,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],7,3,8.5
1262,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],7,3,8.5
1263,5122,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QPHXPNUXTNHJOF-NBLZTSJTSA-N,"InChI=1S/C21H20O11/c1-7-15(25)17(27)19(29)21(30-7)31-9-5-12(24)14-13(6-9)32-20(18(28)16(14)26)8-2-3-10(22)11(23)4-8/h2-7,15,17,19,21-25,27-29H,1H3/t7-,15-,17-,19+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@H]1O,C21H20O11,pos_1_1proton1methanol,448.1005614599999,QPHXPNUXTNHJOF,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1264,5119,-1,,,,0.0,MS1_match,GLXWWDVTVBGZGZ-UHFFFAOYSA-N,"InChI=1S/C15H13NO6/c1-22-9-3-5-10(15(20)21)12(7-9)16-14(19)11-4-2-8(17)6-13(11)18/h2-7,17-18H,1H3,(H,16,19)(H,20,21)",COc1ccc(C(=O)O)c(NC(=O)c2ccc(O)cc2O)c1,C15H13NO6,pos_1_1proton1ethylamine,303.074287136,GLXWWDVTVBGZGZ,Alkaloids,Anthranilic acid alkaloids,Anthranillic acid derivatives,Dianthus caryophyllus,842200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus caryophyllus'],6,0,6.0
1265,5113,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IRILMCCKFANGJQ-SDBHATRESA-N,"InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1",CC(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)CO,C15H22N5O8P,pos_1_1proton1isopropanol,431.1205992939998,IRILMCCKFANGJQ,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
1266,5112,1422,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.7380749,ISDB,QFNNNZPXWWTDRE-IHIZMXTDSA-N,"InChI=1S/C20H32O2/c1-17(2)13-5-8-20-10-9-18(3,12-20)16(22)11-14(20)19(13,4)7-6-15(17)21/h9-10,13-16,21-22H,5-8,11-12H2,1-4H3/t13-,14+,15-,16-,18-,19-,20+/m1/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@]13C=C[C@](C)(C1)[C@H](O)C[C@H]32,C20H32O2,,304.240230264,QFNNNZPXWWTDRE,Terpenoids,Diterpenoids,Beyerane diterpenoids,Dendroviguiera insignis,455756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Viguiera'],['Viguiera insignis'],0,3,4.45229959487915
1267,5111,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.5101112,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],4,2,7.040444850921631
1268,5106,947,Alkaloids,Chromanes,Chromones,0.0,MS1_match,OLLHYYCQHNBTQC-UHFFFAOYSA-N,"InChI=1S/C17H14O3/c18-14-7-4-8-16-17(14)15(19)11-13(20-16)10-9-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2",O=c1cc(CCc2ccccc2)oc2cccc(O)c12,C17H14O3,pos_1_1proton1acetonitrile,266.09429430800003,OLLHYYCQHNBTQC,Polyketides,Chromanes,Chromones,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,3,7.5
1269,5105,333,Terpenoids,Sesquiterpenoids,Quassinoids,0.23138627,ISDB,LXECYNZTZUUAOY-VUMXZRRISA-N,"InChI=1S/C19H26O8/c1-6-5-8(20)14(24)17(3)9(6)11(22)15-18(4)13(17)12(23)10(21)7(2)19(18,26)16(25)27-15/h5,7,9-15,21-24,26H,1-4H3/t7-,9+,10+,11+,12-,13+,14+,15+,17-,18-,19-/m0/s1",CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1[C@@H](O)[C@H]1OC(=O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@H](O)[C@H]2[C@@]13C,C19H26O8,,382.16276779199984,LXECYNZTZUUAOY,Terpenoids,Triterpenoids,Quassinoids,Eurycoma longifolia,1029364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Eurycoma'],['Eurycoma longifolia'],4,3,6.4255450963974
1270,5104,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5344993,ISDB,,,,,,,DKADXDLGBHHZTI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.1379971504211426
1271,5100,258,Amino acids and Peptides,Small peptides,Dipeptides,0.44942972,ISDB,,,,,,,TZNCBUPYJCPNNV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.79771888256073
1272,5098,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CUTXDRAZOCKUFQ-IWRBTPAJSA-N,"InChI=1S/C47H75NO17/c1-19-13-29(60-22(4)51)33-20(2)32-28(48(33)16-19)15-27-25-8-7-23-14-24(9-11-46(23,5)26(25)10-12-47(27,32)6)61-45-42(65-43-39(57)37(55)34(52)21(3)59-43)41(36(54)31(18-50)63-45)64-44-40(58)38(56)35(53)30(17-49)62-44/h7,19-21,24-45,49-50,52-58H,8-18H2,1-6H3/t19-,20-,21-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45+,46-,47-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C47H75NO17,pos_2_2proton1ammonium,925.50349994,CUTXDRAZOCKUFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,9.5
1273,5098,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,DLAUZMOPRYOOGJ-UHFFFAOYSA-N,"InChI=1S/C45H75NO17/c1-19-5-12-45(46-15-19)20(2)30-26(63-45)14-25-23-7-10-43(3)9-6-21(13-24(43)22(23)8-11-44(25,30)4)57-40-37(56)35(54)38(29(18-49)60-40)61-42-39(34(53)32(51)28(17-48)59-42)62-41-36(55)33(52)31(50)27(16-47)58-41/h19-42,46-56H,5-18H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5(C)CCC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CC5C4CCC3(C)C1C2C,C45H75NO17,pos_2_2proton1acetonitrile,901.50349994,DLAUZMOPRYOOGJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
1274,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1275,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,GHPNNGXAFJHTRF-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-8,19-21,23,31-32H,9-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CCC5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,GHPNNGXAFJHTRF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1276,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MMg,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,1,6.5
1277,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5
1278,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5
1279,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VSAQSLOWFUCUJI-VOACYIFUSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17-,18-,19-,20+,21-,22-,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@@H]3CO[C@@]4(C)C[C@@H]3OC(=O)[C@@H]4CO)CC[C@@H]12,C28H38O5,pos_2MMg,454.271924316,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,1,6.5
1280,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5
1281,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VSAQSLOWFUCUJI-PCFFNNTQSA-N,"InChI=1S/C28H38O5/c1-26-12-11-21-17(8-7-16-5-4-6-24(30)28(16,21)3)19(26)9-10-20(26)18-15-32-27(2)13-23(18)33-25(31)22(27)14-29/h4,6-7,17-23,29H,5,8-15H2,1-3H3/t17?,18?,19?,20?,21?,22?,23-,26-,27-,28-/m0/s1",C[C@]12C(=O)C=CCC1=CCC1C2CC[C@@]2(C)C1CCC2C1CO[C@@]2(C)C[C@@H]1OC(=O)C2CO,C28H38O5,pos_2MMg,454.2719243159999,VSAQSLOWFUCUJI,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5
1282,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,1,6.5
1283,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,1,6.5
1284,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,PQCMITGKFWXOBO-GOXWLBPLSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,1,6.5
1285,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,PQCMITGKFWXOBO-OXZBKHBCSA-N,"InChI=1S/C28H38O5/c1-15-12-22(32-25(31)18(15)14-29)16(2)19-7-8-20-17-13-24-28(33-24)10-5-6-23(30)27(28,4)21(17)9-11-26(19,20)3/h5-6,16-17,19-22,24,29H,7-14H2,1-4H3/t16-,17+,19+,20+,21+,22+,24+,26-,27-,28+/m1/s1",CC1=C(CO)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56CC=CC(=O)[C@@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,PQCMITGKFWXOBO,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,1,6.5
1286,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1287,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,LEVWMALVAZUERI-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23,31-32H,8,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5C=CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,LEVWMALVAZUERI,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,1,6.5
1288,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MMg,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Discopodium penninervium,694252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Discopodium'],['Discopodium penninervium'],6,1,6.5
1289,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VAPIOEVNHJBIKG-FNMGNDPVSA-N,"InChI=1S/C28H38O5/c1-15-13-21(32-24(30)16(15)2)17(3)27(31)12-9-19-18-14-23-28(33-23)10-6-7-22(29)26(28,5)20(18)8-11-25(19,27)4/h6-7,17-21,23,31H,8-14H2,1-5H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MMg,454.2719243159999,VAPIOEVNHJBIKG,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,1,6.5
1290,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,RWZUJIPMFKTTKN-LWNWQIFTSA-N,"InChI=1S/C28H38O5/c1-14-24(31)33-21-12-26(14,3)32-13-17(21)19-6-5-18-16-10-23(30)28-11-15(28)9-22(29)27(28,4)20(16)7-8-25(18,19)2/h15-21,23,30H,1,5-13H2,2-4H3/t15-,16+,17+,18+,19-,20+,21-,23-,25+,26-,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]45C[C@H]4CC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H38O5,pos_2MMg,454.2719243159999,RWZUJIPMFKTTKN,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,1,6.5
1291,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,LLPCLUINZWXSIT-QCRLPGLDSA-N,"InChI=1S/C28H38O5/c1-13-14(2)26(31)33-23(22(13)30)15(3)16-9-10-17-21-18(11-12-27(16,17)4)28(5)19(24-25(21)32-24)7-6-8-20(28)29/h6,8,15-19,21-25,30H,7,9-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22+,23+,24-,25+,27-,28-/m1/s1",CC1=C(C)[C@H](O)[C@H]([C@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@H]5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C28H38O5,pos_2MMg,454.271924316,LLPCLUINZWXSIT,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1292,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1293,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,RRKMTTQICCWOES-IWFIGYFDSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)28(31)12-10-17-22-18(9-11-26(17,28)4)27(5)19(23-24(22)33-23)7-6-8-21(27)29/h7,16-18,20,22-24,31H,6,8-13H2,1-5H3/t16-,17-,18-,20+,22-,23+,24-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@H](C)[C@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5C5=CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H38O5,pos_2MMg,454.271924316,RRKMTTQICCWOES,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1294,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZRJOVYPUBHQEES-HZRISEJCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-12-14-28(32)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23,31-32H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZRJOVYPUBHQEES,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,1,6.5
1295,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,1,6.5
1296,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,1,6.5
1297,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,HBFRBCZKKTVLPR-NSYRIIBJSA-N,"InChI=1S/C28H38O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h8-9,16-21,23-24,30H,6-7,10-13H2,1-5H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,HBFRBCZKKTVLPR,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,1,6.5
1298,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1299,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,1,6.5
1300,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,SHDXNRZAYHPFMX-OBQFDWBNSA-N,"InChI=1S/C28H38O5/c1-15-13-24(33-26(32)18(15)14-29)16(2)19-7-8-20-17-5-6-22-23(30)9-10-25(31)28(22,4)21(17)11-12-27(19,20)3/h6,9-10,16-17,19-21,23-24,29-30H,5,7-8,11-14H2,1-4H3/t16-,17-,19+,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,SHDXNRZAYHPFMX,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,1,6.5
1301,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1302,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,UYRXFMXVVKNLDH-VHXUWDKCSA-N,"InChI=1S/C28H38O5/c1-16-15-23(33-24(30)17(16)2)27(5,31)21-9-8-19-18-10-14-28(32)12-6-7-22(29)26(28,4)20(18)11-13-25(19,21)3/h6-7,10,14,18-21,23,31-32H,8-9,11-13,15H2,1-5H3/t18-,19-,20-,21-,23+,25-,26-,27+,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4C=C[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,UYRXFMXVVKNLDH,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,1,6.5
1303,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1304,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,1,6.5
1305,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,1,6.5
1306,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5
1307,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,1,6.5
1308,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,1,6.5
1309,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
1310,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,1,6.5
1311,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-MBMSZCMESA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.2719243159999,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,1,6.5
1312,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,1,6.5
1313,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZTEVDTFJUUJBLP-FAHLVRCFSA-N,"InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,ZTEVDTFJUUJBLP,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,1,6.5
1314,5096,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,DZSFTVFZQVZQIU-ZAJQKTFBSA-N,"InChI=1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3/t16-,17-,19+,20-,21-,23+,24-,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)C5=CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H38O5,pos_2MMg,454.271924316,DZSFTVFZQVZQIU,Terpenoids,Steroids,Ergostane steroids,Jaborosa integrifolia,650754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa integrifolia'],6,1,6.5
1315,5095,-1,,,,0.0,MS1_match,MMUCMYZIERHHHU-ZMXFBQRYSA-N,"InChI=1S/C21H36O7/c1-10(2)12-7-8-21(4,14-6-5-13(11(3)23)16(12)14)28-20-19(26)18(25)17(24)15(9-22)27-20/h10,12-20,22,24-26H,5-9H2,1-4H3/t12-,13+,14+,15+,16+,17+,18-,19+,20-,21-/m0/s1",CC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C(C)C)CC[C@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H36O7,pos_1_1sodium,400.246103492,MMUCMYZIERHHHU,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
1316,5095,-1,,,,0.0,MS1_match,SJMJJDCFAGFDRH-SZDWJZJPSA-N,"InChI=1S/C21H36O7/c1-11-7-13(23)9-21(4)6-5-12(8-14(11)21)20(2,3)28-19-18(26)17(25)16(24)15(10-22)27-19/h12-19,22-26H,1,5-10H2,2-4H3/t12-,13+,14+,15-,16-,17+,18-,19+,21+/m1/s1",C=C1C[C@H](O)C[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12,C21H36O7,pos_1_1sodium,400.2461034919999,SJMJJDCFAGFDRH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
1317,5095,-1,,,,0.0,MS1_match,WXLVRXBQCVFTIV-ZKFUMLHISA-N,"InChI=1S/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13-,14-,15-,16+,17+,18-,19+,21-/m1/s1",C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O7,pos_1_1sodium,400.246103492,WXLVRXBQCVFTIV,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
1318,5095,-1,,,,0.0,MS1_match,WXLVRXBQCVFTIV-ZKFUMLHISA-N,"InChI=1S/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13-,14-,15-,16+,17+,18-,19+,21-/m1/s1",C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O7,pos_1_1sodium,400.246103492,WXLVRXBQCVFTIV,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
1319,5095,-1,,,,0.0,MS1_match,MMUCMYZIERHHHU-ZMXFBQRYSA-N,"InChI=1S/C21H36O7/c1-10(2)12-7-8-21(4,14-6-5-13(11(3)23)16(12)14)28-20-19(26)18(25)17(24)15(9-22)27-20/h10,12-20,22,24-26H,5-9H2,1-4H3/t12-,13+,14+,15+,16+,17+,18-,19+,20-,21-/m0/s1",CC(=O)[C@H]1CC[C@@H]2[C@@H]1[C@H](C(C)C)CC[C@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H36O7,pos_1_1sodium,400.246103492,MMUCMYZIERHHHU,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
1320,5094,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
1321,5094,-1,,,,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
1322,5094,-1,,,,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
1323,5094,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,7.0
1324,5094,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
1325,5094,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
1326,5094,-1,,,,0.0,MS1_match,PJDABWGWSDUIAM-YGZRBXPVSA-N,"InChI=1S/C15H20O5/c1-7-11-9(17)5-15(2)10(18)4-3-8(6-16)12(15)13(11)20-14(7)19/h6,8-13,17-18H,1,3-5H2,2H3/t8-,9-,10+,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](C=O)CC[C@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,PJDABWGWSDUIAM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,0,7.0
1327,5094,-1,,,,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
1328,5094,-1,,,,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1ethylamine,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
1329,5094,-1,,,,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1proton1ammonium,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
1330,5094,-1,,,,0.0,MS1_match,SJSPSHPVPXPTPG-UHFFFAOYSA-N,"InChI=1S/C17H27NO5/c1-4-18-15(21)13-11-10-23-17(22-3,14(11)20)12(19)8-6-5-7-9-16(13,18)2/h12,14,19-20H,4-10H2,1-3H3",CCN1C(=O)C2=C3COC(OC)(C(O)CCCCCC21C)C3O,C17H27NO5,pos_1_1proton,325.188922964,SJSPSHPVPXPTPG,,,,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,0,7.0
1331,5094,-1,,,,0.0,MS1_match,DUKXKHCYGRDGCW-LKJLYNOCSA-N,"InChI=1S/C17H24O5/c1-8-7-12(21-10(3)18)15(19)17(4)6-5-11-9(2)16(20)22-14(11)13(8)17/h9,11-15,19H,1,5-7H2,2-4H3/t9-,11+,12-,13+,14-,15+,17+/m0/s1",C=C1C[C@H](OC(C)=O)[C@@H](O)[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C17H24O5,pos_1_1proton1ammonium,308.162373868,DUKXKHCYGRDGCW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
1332,5094,-1,,,,0.0,MS1_match,YIRQAQBMBKUQDI-JGGVDJITSA-N,"InChI=1S/C15H20O5/c1-8-13-10(17)6-15(2)12(20-15)4-3-9(7-16)5-11(13)19-14(8)18/h5,10-13,16-17H,1,3-4,6-7H2,2H3/b9-5-/t10-,11+,12+,13+,15-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC[C@H]3O[C@@]3(C)C[C@H](O)[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,YIRQAQBMBKUQDI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
1333,5094,-1,,,,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
1334,5093,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1potassium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
1335,5093,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1potassium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
1336,5091,258,Amino acids and Peptides,Small peptides,Dipeptides,0.52026653,ISDB,,,,,,,JMACEDIUUMWDIC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.081066131591797
1337,5090,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WLJVXDMOQOGPHL-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)",O=C(O)Cc1ccccc1,C8H8O2,pos_1_1proton,136.052429496,WLJVXDMOQOGPHL,Shikimates and Phenylpropanoids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,1,6.5
1338,5090,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_1_1proton,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,1,6.5
1339,5090,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GPSDUZXPYCFOSQ-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",Cc1cccc(C(=O)O)c1,C8H8O2,pos_1_1proton,136.052429496,GPSDUZXPYCFOSQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],6,1,6.5
1340,5086,338,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,IEZWLIJBCDCGEU-UHFFFAOYSA-N,"InChI=1S/C11H20O3S/c1-15-9-7-5-3-2-4-6-8-10(12)11(13)14/h2-9H2,1H3,(H,13,14)",CSCCCCCCCCC(=O)C(=O)O,C11H20O3S,pos_1_1proton1ethylamine,232.1133155,IEZWLIJBCDCGEU,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1341,5085,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
1342,5085,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
1343,5085,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_1_1sodium,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
1344,5082,-1,,,,0.0,MS1_match,HPMGFDVTYHWBAG-UHFFFAOYSA-N,"InChI=1S/C6H12O3/c1-2-3-5(7)4-6(8)9/h5,7H,2-4H2,1H3,(H,8,9)",CCCC(O)CC(=O)O,C6H12O3,pos_1_1proton1acetonitrile,132.078644244,HPMGFDVTYHWBAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0
1345,5081,98,Alkaloids,Ornithine alkaloids,Polyamines,0.5597318,ISDB,UKDQTQBQRCLXJK-UHFFFAOYSA-N,"InChI=1S/C25H33N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,7-9,11,16-17,26,29-32H,1-3,6,10,12-15H2,(H,27,33)(H,28,34)",O=C(C=Cc1ccc(O)c(O)c1)NCCCNCCCCNC(=O)CCc1ccc(O)c(O)c1,C25H33N3O6,,471.236935776,UKDQTQBQRCLXJK,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.738927125930786
1346,5079,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1sodium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Festuca argentina,232597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca argentina'],6,0,6.0
1347,5079,-1,,,,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1sodium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Festuca argentina,232597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca argentina'],6,0,6.0
1348,5077,-1,,,,0.28024268,ISDB,,,,,,,MNAGXGIWSMFPEB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1209707260131836
1349,5076,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7970723,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Bombyx mori,440274.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Bombycidae'],['Unknown'],['Bombyx'],['Bombyx mori'],4,0,7.188289165496826
1350,5076,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7970723,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Galleria mellonella,952256.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Pyralidae'],['Unknown'],['Galleria'],['Galleria mellonella'],4,0,7.188289165496826
1351,5076,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7970723,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,0,7.188289165496826
1352,5076,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7970723,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,0,7.188289165496826
1353,5074,546,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6199645,ISDB,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.979857921600342
1354,5071,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.5377878,ISDB,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.651151180267334
1355,5068,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2744919,ISDB,WKDBZTLJGGVOGW-VDZAXMOLSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32?/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CCC23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Pseudocnus koellikeri,3652909.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Pseudocnus'],['Pseudocnus koellikeri'],2,3,4.597967624664307
1356,5068,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2744919,ISDB,WKDBZTLJGGVOGW-WDPAYILQSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cucumaria frondosa,478655.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Cucumaria'],['Cucumaria frondosa'],2,3,4.597967624664307
1357,5064,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Euphorbia macroclada,3912086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia macroclada'],7,3,8.5
1358,5064,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-GASJEMHNSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1",OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,8.5
1359,5064,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,WQZGKKKJIJFFOK-VFUOTHLCSA-N,"InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1",OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C6H12O6,pos_1_1proton1ammonium,180.063388104,WQZGKKKJIJFFOK,Carbohydrates,Saccharides,Disaccharides,Euphorbia plumerioides,1009375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia plumerioides'],7,3,8.5
1360,5063,745,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.93874425,ISDB,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,11.254976987838745
1361,5062,869,Fatty acids,Octadecanoids,Phytoprostanes,0.5810631,ISDB,WJSAFQZKYVRPGM-ZRDIBKRKSA-N,"InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+",CCC(O)/C=C/C1=C(CCCCCCCC(=O)O)C(=O)CC1,C18H28O4,,308.198759376,WJSAFQZKYVRPGM,Fatty acids,Octadecanoids,Phytoprostanes,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],1,3,4.824252367019653
1362,5062,869,Fatty acids,Octadecanoids,Phytoprostanes,0.5810631,ISDB,WJSAFQZKYVRPGM-ZRDIBKRKSA-N,"InChI=1S/C18H28O4/c1-2-15(19)12-10-14-11-13-17(20)16(14)8-6-4-3-5-7-9-18(21)22/h10,12,15,19H,2-9,11,13H2,1H3,(H,21,22)/b12-10+",CCC(O)/C=C/C1=C(CCCCCCCC(=O)O)C(=O)CC1,C18H28O4,,308.198759376,WJSAFQZKYVRPGM,Fatty acids,Octadecanoids,Phytoprostanes,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],1,3,4.824252367019653
1363,5056,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.60500294,ISDB,MYXNWGACZJSMBT-VJXVFPJBSA-N,"InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O10,,432.10564684,MYXNWGACZJSMBT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,11.920011758804321
1364,5053,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Romneya coulteri,565714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Romneya'],['Romneya coulteri'],6,3,7.5
1365,5053,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,pos_1_1proton,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
1366,5052,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JXWAQRJFONLTSI-ASDZUOGYSA-N,"InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O13,pos_1_1proton,518.1060407639999,JXWAQRJFONLTSI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
1367,5049,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.7134723,ISDB,CHQSBPSGBSLDOC-UHFFFAOYSA-N,"InChI=1S/C12H18O/c1-8(2)10-6-9-4-3-5-12(13)11(9)7-10/h9,11H,3-7H2,1-2H3",CC(C)=C1CC2CCCC(=O)C2C1,C12H18O,,178.135765196,CHQSBPSGBSLDOC,Terpenoids,,,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],7,1,10.353889226913452
1368,5048,-1,,,,0.27610174,ISDB,,,,,,,PHARQEHVJVOTOL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1044069528579712
1369,5047,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_2proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1370,5047,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_2proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1371,5047,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_2proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1372,5047,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_2proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1373,5047,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_2proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1374,5046,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8425103,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.870041131973267
1375,5045,496,Alkaloids,Anthranilic acid alkaloids,Phenazine alkaloids,0.0,MS1_match,ZJTJUVIJVLLGSP-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)",Cc1cc2nc3nc(O)nc(O)c3nc2cc1C,C12H10N4O2,pos_1_1proton1acetonitrile,242.08037556,ZJTJUVIJVLLGSP,Alkaloids,Anthranilic acid alkaloids,Phenazine alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
1376,5044,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7251915,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,3,4.400765895843506
1377,5044,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7251915,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],0,3,4.400765895843506
1378,5044,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7251915,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Ailuropoda melanoleuca,872573.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Carnivora'],['Ursidae'],['Unknown'],['Ailuropoda'],['Ailuropoda melanoleuca'],0,3,4.400765895843506
1379,5044,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7251915,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],0,3,4.400765895843506
1380,5044,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7251915,ISDB,IHNKQIMGVNPMTC-RUZDIDTESA-N,"InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO7P,,523.3637896979999,IHNKQIMGVNPMTC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],0,3,4.400765895843506
1381,5043,-1,,,,0.0,MS1_match,ZUNZFMCDLSCUGC-AJKKUMOQSA-N,"InChI=1S/C29H40O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(36-27(33)21-10-8-7-9-11-21)19(3)16-29(22,34)26(17)35-20(4)30/h7-14,17,19,22-26,31-32,34H,15-16H2,1-6H3/b13-12+,18-14+/t17-,19-,22-,23+,24+,25-,26-,29+/m0/s1",CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O,C29H40O7,pos_1_minus1proton2sodium,500.2774036199999,ZUNZFMCDLSCUGC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
1382,5043,-1,,,,0.0,MS1_match,LIKKXXHSQQGZKK-ZOTBZMMGSA-N,"InChI=1S/C29H40O7/c1-9-15(4)26(33)35-24-17(6)28(34)20-10-16(5)22(31)19(20)11-18(13-30)12-21(28)23-27(7,8)29(23,24)36-25(32)14(2)3/h9-10,12,14,17,19-21,23-24,30,34H,11,13H2,1-8H3/b15-9+/t17-,19+,20-,21+,23-,24-,28+,29-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C,C29H40O7,pos_1_minus1proton2sodium,500.2774036199999,LIKKXXHSQQGZKK,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia semiperfoliata,3912201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia semiperfoliata'],7,0,7.0
1383,5043,-1,,,,0.0,MS1_match,LIKKXXHSQQGZKK-ZOTBZMMGSA-N,"InChI=1S/C29H40O7/c1-9-15(4)26(33)35-24-17(6)28(34)20-10-16(5)22(31)19(20)11-18(13-30)12-21(28)23-27(7,8)29(23,24)36-25(32)14(2)3/h9-10,12,14,17,19-21,23-24,30,34H,11,13H2,1-8H3/b15-9+/t17-,19+,20-,21+,23-,24-,28+,29-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C,C29H40O7,pos_1_minus1proton2sodium,500.2774036199999,LIKKXXHSQQGZKK,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia umbellata,28703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia umbellata'],7,0,7.0
1384,5043,-1,,,,0.0,MS1_match,LIKKXXHSQQGZKK-ZOTBZMMGSA-N,"InChI=1S/C29H40O7/c1-9-15(4)26(33)35-24-17(6)28(34)20-10-16(5)22(31)19(20)11-18(13-30)12-21(28)23-27(7,8)29(23,24)36-25(32)14(2)3/h9-10,12,14,17,19-21,23-24,30,34H,11,13H2,1-8H3/b15-9+/t17-,19+,20-,21+,23-,24-,28+,29-/m1/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C,C29H40O7,pos_1_minus1proton2sodium,500.2774036199999,LIKKXXHSQQGZKK,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia pseudograntii,6100845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pseudograntii'],7,0,7.0
1385,5043,-1,,,,0.0,MS1_match,TUYMOSZNDXCMQM-GLPNJXFDSA-N,"InChI=1S/C31H38O7/c1-15(2)27(34)38-31-25(29(31,6)7)21-14-17(4)24(33)22-20(13-16(3)23(22)32)30(21,36)18(5)26(31)37-28(35)19-11-9-8-10-12-19/h8-15,18,20-22,24-26,33,36H,1-7H3/t18-,20-,21+,22-,24-,25-,26-,30+,31-/m1/s1",CC1=C[C@@H]2[C@H](C1=O)[C@H](O)C(C)=C[C@H]1[C@@H]3C(C)(C)[C@]3(OC(=O)C(C)C)[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@]21O,C31H38O7,pos_1_1sodium,522.2617535559999,TUYMOSZNDXCMQM,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia dendroides,825705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia dendroides'],7,0,7.0
1386,5043,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1sodium,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,0,7.0
1387,5043,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1sodium,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
1388,5043,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1sodium,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,0,7.0
1389,5043,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1sodium,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
1390,5042,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.43453556,ISDB,XRWDXWKXFWEYCB-UHFFFAOYSA-N,"InChI=1S/C14H16O2/c1-5-10-6-7-12-11(8-10)13(15-4)9-14(2,3)16-12/h5-9H,1H2,2-4H3",C=Cc1ccc2c(c1)C(OC)=CC(C)(C)O2,C14H16O2,,216.115029752,XRWDXWKXFWEYCB,Terpenoids,Meroterpenoids,Merohemiterpenoids,Trichogonia villosa,5920920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Trichogonia'],['Trichogonia villosa'],4,3,7.238142251968384
1391,5042,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.43453556,ISDB,XRWDXWKXFWEYCB-UHFFFAOYSA-N,"InChI=1S/C14H16O2/c1-5-10-6-7-12-11(8-10)13(15-4)9-14(2,3)16-12/h5-9H,1H2,2-4H3",C=Cc1ccc2c(c1)C(OC)=CC(C)(C)O2,C14H16O2,,216.115029752,XRWDXWKXFWEYCB,Terpenoids,Meroterpenoids,Merohemiterpenoids,Trichogonia santosii,7604589.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Trichogonia'],['Trichogonia santosii'],4,3,7.238142251968384
1392,5041,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,NYBBODHIFBLFMJ-PMXSCFQLSA-N,"InChI=1S/C11H19NO8/c12-2-1-11(18,4-14)5-19-10-9(17)8(16)7(15)6(3-13)20-10/h6-10,13-18H,1,3-5H2/t6-,7-,8+,9-,10-,11+/m1/s1",N#CC[C@](O)(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO8,pos_1_1proton1isopropanol,293.111066568,NYBBODHIFBLFMJ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
1393,5041,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QUKQOJWYWICWBV-MZLYOKELSA-N,"InChI=1S/C11H19NO8/c1-5(2-12)11(17,18)4-19-10-9(16)8(15)7(14)6(3-13)20-10/h5-10,13-18H,3-4H2,1H3/t5?,6-,7-,8+,9-,10-/m1/s1",CC(C#N)C(O)(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO8,pos_1_1proton1isopropanol,293.111066568,QUKQOJWYWICWBV,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
1394,5040,905,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1395,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,3,8.5
1396,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-UHFFFAOYSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC(C)=O)CC12,C17H20O5,pos_1_1proton1ethylamine,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea nicolai,7613260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nicolai'],7,3,8.5
1397,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1proton1acetonitrile,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
1398,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IXOAQFFFKPCXLB-LKCSHLFESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13+,14+,15+,16+,17-/m1/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]21,C19H24O5,pos_1_1proton1ammonium,332.162373868,IXOAQFFFKPCXLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum longifolium,1012807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum longifolium'],7,3,8.5
1399,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IXOAQFFFKPCXLB-OPCFMFSHSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13+,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21,C19H24O5,pos_1_1proton1ammonium,332.162373868,IXOAQFFFKPCXLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,8.5
1400,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IXOAQFFFKPCXLB-OGEQHFGCSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21,C19H24O5,pos_1_1proton1ammonium,332.162373868,IXOAQFFFKPCXLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
1401,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ethylamine,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,3,8.5
1402,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-VNAATALASA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12+,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ethylamine,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kandavanensis,785659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kandavanensis'],7,3,8.5
1403,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,3,8.5
1404,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus junonianus,404587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus junonianus'],7,3,8.5
1405,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,3,8.5
1406,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ethylamine,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
1407,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ethylamine,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea acaulis,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,3,8.5
1408,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
1409,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1410,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,3,8.5
1411,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,3,8.5
1412,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus metlesicsii,404580.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus metlesicsii'],7,3,8.5
1413,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
1414,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,3,8.5
1415,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JCWQENUEJOVTIV-YHPRMOQLSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-13-7-10(4)15-14(13)9(3)6-12(20)16-11(5)19(22)24-17(15)16/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14+,15-,16+,17+/m0/s1",C=C1C[C@H](OC(=O)C(C)C)[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,JCWQENUEJOVTIV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
1416,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JCWQENUEJOVTIV-YHPRMOQLSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-13-7-10(4)15-14(13)9(3)6-12(20)16-11(5)19(22)24-17(15)16/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14+,15-,16+,17+/m0/s1",C=C1C[C@H](OC(=O)C(C)C)[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,JCWQENUEJOVTIV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
1417,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PVMRWMPTZVVVJM-JQVOGXOBSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)24-17-13-9(3)6-7-12-10(4)19(22)23-16(12)14(13)11(5)15(17)20/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15+,16-,17+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,PVMRWMPTZVVVJM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
1418,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FQKDBWKMFCRELP-PDGWKQKYSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h10,12-17,20H,1,3,5-7H2,2,4H3/t10-,12+,13+,14+,15+,16-,17-/m1/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O5,pos_1_1proton1ammonium,332.162373868,FQKDBWKMFCRELP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
1419,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PVMRWMPTZVVVJM-JQVOGXOBSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)24-17-13-9(3)6-7-12-10(4)19(22)23-16(12)14(13)11(5)15(17)20/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15+,16-,17+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ammonium,332.162373868,PVMRWMPTZVVVJM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
1420,5039,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZNXKZMIVEDDWGE-LKCSHLFESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-7-12-9(3)6-13(20)16-11(5)19(22)24-17(16)15(12)10(14)4/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13+,14+,15+,16+,17-/m1/s1",C=C(C)C(=O)O[C@H]1C[C@@H]2C(=C)C[C@H](O)[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]2C1=C,C19H24O5,pos_1_1proton1ammonium,332.162373868,ZNXKZMIVEDDWGE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum longifolium,1012807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum longifolium'],7,3,8.5
1421,5038,-1,,,,0.0,MS1_match,MWIVNGBJWOARQO-OUOWLKGYSA-N,"InChI=1S/C24H42O5/c1-18(12-9-15-24(7)16-10-14-23(5,6)29-24)11-8-13-19(2)22(28-21(4)26)17-27-20(3)25/h18,22H,2,8-17H2,1,3-7H3/t18-,22+,24+/m1/s1",C=C(CCC[C@@H](C)CCC[C@@]1(C)CCCC(C)(C)O1)[C@H](COC(C)=O)OC(C)=O,C24H42O5,pos_1_1sodium,410.303224444,MWIVNGBJWOARQO,Terpenoids,,,Anisopappus pinnatifidus,7051213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Athroismeae'],['Anisopappus'],['Anisopappus pinnatifidus'],6,0,6.0
1422,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
1423,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea suffruticosa,715079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea suffruticosa'],7,0,7.0
1424,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
1425,5037,-1,,,,0.0,MS1_match,NGPDZEACIWDCKX-WUDKWMPASA-N,"InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)C=C[C@@](C)(O)[C@H]21,C15H20O4,pos_2MNa,264.13615912,NGPDZEACIWDCKX,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
1426,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
1427,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea iberica,726027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea iberica'],7,0,7.0
1428,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],7,0,7.0
1429,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinella moschus,519450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinella'],['Jurinella moschus'],7,0,7.0
1430,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
1431,5037,-1,,,,0.0,MS1_match,QKQGXZIVYKJKBQ-RASOWBLLSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,12-14,16-17H,2-3,5,7-8H2,1H3/b9-4+,11-6-/t12-,13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)[C@@H](O)C[C@@H]12,C15H20O4,pos_2MNa,264.13615912,QKQGXZIVYKJKBQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
1432,5037,-1,,,,0.0,MS1_match,QKQGXZIVYKJKBQ-RASOWBLLSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,12-14,16-17H,2-3,5,7-8H2,1H3/b9-4+,11-6-/t12-,13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)[C@@H](O)C[C@@H]12,C15H20O4,pos_2MNa,264.13615912,QKQGXZIVYKJKBQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
1433,5037,-1,,,,0.0,MS1_match,PAZYHLOHSAAEKM-VYJZXLQCSA-N,"InChI=1S/C15H20O4/c1-10-13-6-5-11(8-16)3-2-4-12(9-17)7-14(13)19-15(10)18/h3,7,13-14,16-17H,1-2,4-6,8-9H2/b11-3+,12-7+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)CC[C@@H]12,C15H20O4,pos_2MNa,264.13615912,PAZYHLOHSAAEKM,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea albicaulis,741651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea albicaulis'],7,0,7.0
1434,5037,-1,,,,0.0,MS1_match,RVKWXVMCRTUJGJ-PVZBEVCSSA-N,"InChI=1S/C15H20O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7,9-13,17H,1,3-6H2,2H3/t9-,10+,11-,12-,13+,15-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@H](C=O)[C@H]21,C15H20O4,pos_2MNa,264.13615912,RVKWXVMCRTUJGJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
1435,5037,-1,,,,0.0,MS1_match,KTQLCISPJDVTOS-WBHWTODUSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h7,10-13,16H,2,4-6H2,1,3H3/b8-7+/t10-,11-,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)/C=C(\C)CCC[C@@]1(C)O[C@@H]21,C15H20O4,pos_2MNa,264.13615912,KTQLCISPJDVTOS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
1436,5037,-1,,,,0.0,MS1_match,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
1437,5037,-1,,,,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_2MNa,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
1438,5037,-1,,,,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_2MNa,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
1439,5037,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-BFHYXJOUSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2CC(C)=CCCC(CO)=C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
1440,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aegialophila,914194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aegialophila'],7,0,7.0
1441,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
1442,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
1443,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea castellana,609895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea castellana'],7,0,7.0
1444,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
1445,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
1446,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paniculata,735135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paniculata'],7,0,7.0
1447,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cuneifolia,992160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cuneifolia'],7,0,7.0
1448,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
1449,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
1450,5037,-1,,,,0.0,MS1_match,CNCUVASZDQFGKH-DMLGPZFASA-N,"InChI=1S/C15H20O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h7,9-13,17H,1,3-6H2,2H3/t9-,10-,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CC[C@@H](O)[C@]3(C)CC[C@@H]12,C15H20O4,pos_2MNa,264.13615912,CNCUVASZDQFGKH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
1451,5037,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_2MNa,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea seridis,539755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea polyacantha'],7,0,7.0
1452,5037,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_2MNa,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea castellana,609895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea castellana'],7,0,7.0
1453,5037,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_2MNa,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sonchifolia,7613429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sonchifolia'],7,0,7.0
1454,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,0,7.0
1455,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,0,7.0
1456,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],7,0,7.0
1457,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea maroccana,3894184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maroccana'],7,0,7.0
1458,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
1459,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
1460,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
1461,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,0,7.0
1462,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
1463,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1464,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1465,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
1466,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
1467,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
1468,5037,-1,,,,0.0,MS1_match,SSTIYLZXJJFLBY-JNSDFJCGSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,13-14,16H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2C(=O)C1,C15H20O4,pos_2MNa,264.13615912,SSTIYLZXJJFLBY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
1469,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,0,7.0
1470,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
1471,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-WWRXHXRLSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(=C)[C@@H](O)C[C@H]12,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
1472,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
1473,5037,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_2MNa,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
1474,5037,-1,,,,0.0,MS1_match,QKZAGVAREZGRQW-MAEJKLRXSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-11(6-16)15(18)19-14(9)13-8(2)12(17)5-10(7)13/h8,10,12-14,16-17H,1,3-6H2,2H3/t8-,10+,12-,13+,14+/m0/s1",C=C1CCC2=C(CO)C(=O)O[C@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C15H20O4,pos_2MNa,264.13615912,QKZAGVAREZGRQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
1475,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea bombycina,662748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bombycina'],7,0,7.0
1476,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea achaia,7612795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea achaia'],7,0,7.0
1477,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum ambiguum,3894479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum ambiguum'],7,0,7.0
1478,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
1479,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
1480,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea orphanidea,3894141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea orphanidea'],7,0,7.0
1481,5037,-1,,,,0.0,MS1_match,SNNGLDULRXQHKQ-JSXSYOHWSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,9-13,17H,1-2,6H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)C=O,C15H20O4,pos_2MNa,264.13615912,SNNGLDULRXQHKQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
1482,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus intybaceus,404582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus intybaceus'],7,0,7.0
1483,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
1484,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum cyrenaicum,7612237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum cyrenaicum'],7,0,7.0
1485,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea melitensis,539759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea melitensis'],7,0,7.0
1486,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea crocodylium,391024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea crocodylium'],7,0,7.0
1487,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
1488,5037,-1,,,,0.0,MS1_match,DAIIXEWQEXVGNA-GWZQBECVSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5-/t10-,11+,12-,13+,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C/C(C)=C\CC[C@@]1(C)O[C@H]21,C15H20O4,pos_2MNa,264.13615912,DAIIXEWQEXVGNA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
1489,5037,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_2MNa,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea derventana,7612965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea derventana'],7,0,7.0
1490,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
1491,5037,-1,,,,0.0,MS1_match,PAZYHLOHSAAEKM-VYJZXLQCSA-N,"InChI=1S/C15H20O4/c1-10-13-6-5-11(8-16)3-2-4-12(9-17)7-14(13)19-15(10)18/h3,7,13-14,16-17H,1-2,4-6,8-9H2/b11-3+,12-7+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)CC[C@@H]12,C15H20O4,pos_2MNa,264.13615912,PAZYHLOHSAAEKM,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],7,0,7.0
1492,5037,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_2MNa,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
1493,5037,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_2MNa,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1494,5037,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_2MNa,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
1495,5037,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-CDUHWDNDSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8-,9-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@@H](C)C(=O)C[C@@H]12,C15H20O4,pos_2MNa,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
1496,5037,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_2MNa,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum corymbosum,5144245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum corymbosum'],7,0,7.0
1497,5037,-1,,,,0.0,MS1_match,FHYQPZNZWJKLKK-HGVZAONGSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10-,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_2MNa,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
1498,5037,-1,,,,0.0,MS1_match,FHYQPZNZWJKLKK-FUCUMGKVSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_2MNa,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
1499,5037,-1,,,,0.0,MS1_match,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,pos_2MNa,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea baldschuanica,1036514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea baldschuanica'],7,0,7.0
1500,5037,-1,,,,0.0,MS1_match,NVWOXHIJJRKUQA-RUFJGOCRSA-N,"InChI=1S/C27H44O9/c1-22(2,33)9-8-18(29)25(5,34)17-7-11-26(35)15-12-19(30)27(36)13-16(28)20(31)21(32)24(27,4)14(15)6-10-23(17,26)3/h12,14,16-18,20-21,28-29,31-36H,6-11,13H2,1-5H3/t14-,16+,17-,18+,20+,21+,23+,24-,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C,C27H44O9,pos_1_1potassium,512.298532988,NVWOXHIJJRKUQA,Terpenoids,Steroids,Ecdysteroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
1501,5037,-1,,,,0.0,MS1_match,NVWOXHIJJRKUQA-RUFJGOCRSA-N,"InChI=1S/C27H44O9/c1-22(2,33)9-8-18(29)25(5,34)17-7-11-26(35)15-12-19(30)27(36)13-16(28)20(31)21(32)24(27,4)14(15)6-10-23(17,26)3/h12,14,16-18,20-21,28-29,31-36H,6-11,13H2,1-5H3/t14-,16+,17-,18+,20+,21+,23+,24-,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C,C27H44O9,pos_1_1potassium,512.298532988,NVWOXHIJJRKUQA,Terpenoids,Steroids,Ecdysteroids,Rhaponticum integrifolium,1012803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum integrifolium'],7,0,7.0
1502,5037,-1,,,,0.0,MS1_match,NVWOXHIJJRKUQA-UHFFFAOYSA-N,"InChI=1S/C27H44O9/c1-22(2,33)9-8-18(29)25(5,34)17-7-11-26(35)15-12-19(30)27(36)13-16(28)20(31)21(32)24(27,4)14(15)6-10-23(17,26)3/h12,14,16-18,20-21,28-29,31-36H,6-11,13H2,1-5H3",CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(O)C(O)C4(C)C3CCC12C,C27H44O9,pos_1_1potassium,512.298532988,NVWOXHIJJRKUQA,Terpenoids,Steroids,Ecdysteroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
1503,5037,-1,,,,0.0,MS1_match,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,pos_2MNa,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea crinita,5794842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea crinita'],7,0,7.0
1504,5037,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-LUQFHCQZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8+,9+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O4,pos_2MNa,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1505,5036,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton1acetonitrile,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1506,5032,-1,,,,0.0,MS1_match,HTRXHLGQLRRIRG-UHFFFAOYSA-N,"InChI=1S/C23H38O3/c1-3-19(2)15-12-10-8-6-4-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)",CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(=O)O,C23H38O3,pos_1_1proton1isopropanol,362.282095076,HTRXHLGQLRRIRG,Polyketides,Aromatic polyketides,Catechols with side chains,Rhodanthe sterilescens,7601839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe sterilescens'],6,0,6.0
1507,5032,-1,,,,0.0,MS1_match,NHRGVCNVNSXKEO-YZKULWDZSA-N,"InChI=1S/C23H38O3/c1-20(2)25-14-19(26-20)21(3)11-12-23(5)16(13-21)8-9-17-18(23)7-6-10-22(17,4)15-24/h9,16,18-19,24H,6-8,10-15H2,1-5H3/t16-,18-,19-,21-,22-,23-/m0/s1",CC1(C)OC[C@@H]([C@@]2(C)CC[C@@]3(C)[C@@H](CC=C4[C@@H]3CCC[C@@]4(C)CO)C2)O1,C23H38O3,pos_1_1proton1isopropanol,362.282095076,NHRGVCNVNSXKEO,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Hymenothrix glandulopubescens,7051473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Hymenothrix'],['Hymenothrix glandulopubescens'],6,0,6.0
1508,5032,-1,,,,0.0,MS1_match,WDEAXFQEDBWSBE-NRFANRHFSA-N,"InChI=1S/C25H42O3/c1-5-21(2)17-14-12-10-8-6-7-9-11-13-15-18-22-19-16-20-23(27-3)24(22)25(26)28-4/h16,19-21H,5-15,17-18H2,1-4H3/t21-/m0/s1",CC[C@H](C)CCCCCCCCCCCCc1cccc(OC)c1C(=O)OC,C25H42O3,pos_1_1proton1methanol,390.313395204,WDEAXFQEDBWSBE,Polyketides,Aromatic polyketides,Catechols with side chains,Rhodanthe sterilescens,7601839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Rhodanthe'],['Rhodanthe sterilescens'],6,0,6.0
1509,5032,-1,,,,0.0,MS1_match,BENJKNYADAOTQA-IPDWYJBHSA-N,"InChI=1S/C25H42O3/c1-17(2)16-23(27)28-15-13-18(3)8-10-20-19(4)9-11-21-24(5,6)22(26)12-14-25(20,21)7/h9,13,17,20-22,26H,8,10-12,14-16H2,1-7H3/b18-13+/t20-,21-,22+,25+/m1/s1",CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(C)C,C25H42O3,pos_1_1proton1methanol,390.313395204,BENJKNYADAOTQA,Terpenoids,Diterpenoids,Labdane diterpenoids,Corymbium villosum,7052696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Corymbieae'],['Corymbium'],['Corymbium villosum'],6,0,6.0
1510,5030,931,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.3771676,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,12.008670449256897
1511,5029,167,Terpenoids,Sesquiterpenoids,Polyamines,0.44475228,ISDB,,,,,,,CCZXUYRSGKPBHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7790091037750244
1512,5026,-1,,,,0.0,MS1_match,NYHBQMYGNKIUIF-PXMDKTAGSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6+,9-/m0/s1",N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,C10H13N5O5,pos_1_1potassium,283.091668516,NYHBQMYGNKIUIF,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
1513,5026,-1,,,,0.0,MS1_match,NYHBQMYGNKIUIF-PXMDKTAGSA-N,"InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5+,6+,9-/m0/s1",N=c1nc(O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,C10H13N5O5,pos_1_1potassium,283.091668516,NYHBQMYGNKIUIF,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
1514,5025,445,Shikimates and Phenylpropanoids,Anthranilic acid alkaloids,Flavans,0.0,MS1_match,MKMCJLMBVKHUMS-UHFFFAOYSA-N,"InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)",COc1ccc2nc(O)oc2c1,C8H7NO3,pos_1_1proton,165.042593084,MKMCJLMBVKHUMS,Shikimates and Phenylpropanoids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
1515,5022,-1,,,,0.5755018,ISDB,XLJXDBAXSFXJOY-QHKWOANTSA-N,"InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)30(17-4-3-15-29-16-5-14-28)27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,29,31-32H,3-5,14-17,28H2,1-2H3/b12-8+,13-9+",COc1cc(/C=C/C(=O)N(CCCCNCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C27H35N3O6,,497.25258584,XLJXDBAXSFXJOY,Alkaloids,Ornithine alkaloids,Polyamines,Corylus avellana,424336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Corylus'],['Corylus avellana'],1,0,3.3020071983337402
1516,5022,-1,,,,0.5755018,ISDB,XLJXDBAXSFXJOY-QHKWOANTSA-N,"InChI=1S/C27H35N3O6/c1-35-24-18-20(6-10-22(24)31)8-12-26(33)30(17-4-3-15-29-16-5-14-28)27(34)13-9-21-7-11-23(32)25(19-21)36-2/h6-13,18-19,29,31-32H,3-5,14-17,28H2,1-2H3/b12-8+,13-9+",COc1cc(/C=C/C(=O)N(CCCCNCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C27H35N3O6,,497.25258584,XLJXDBAXSFXJOY,Alkaloids,Ornithine alkaloids,Polyamines,Dianthus caryophyllus,842200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus caryophyllus'],1,0,3.3020071983337402
1517,5016,-1,,,,0.0,MS1_match,FCBACUGWODQDAW-ITGYZVCLSA-N,"InChI=1S/C26H46O8/c1-15(10-13-27)6-7-18-25(4)11-9-19(24(2,3)17(25)8-12-26(18,5)32)34-23-22(31)21(30)20(29)16(14-28)33-23/h10,16-23,27-32H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,18-,19+,20-,21+,22-,23+,25+,26+/m1/s1",C/C(=C\CO)CC[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]2CC[C@]1(C)O,C26H46O8,pos_1_minus1proton2sodium,486.31926843199983,FCBACUGWODQDAW,Terpenoids,Diterpenoids,Labdane diterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
1518,5014,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,XGRYRNQISNOEGY-UHFFFAOYSA-N,"InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3",C[S+]([O-])CCCCCCCCC#N,C10H19NOS,pos_1_1proton1dmso,201.118735228,XGRYRNQISNOEGY,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
1519,5010,-1,,,,0.82879716,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,0,9.315188646316528
1520,5010,-1,,,,0.82879716,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],6,0,9.315188646316528
1521,5010,-1,,,,0.82879716,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis raddeana,7048977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis raddeana'],6,0,9.315188646316528
1522,5010,-1,,,,0.82879716,ISDB,GBRMPBIZRSWCMZ-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1(C(O)c3ccc4c(c3C1O)OCO4)N(C)CC2,C21H23NO6,,385.152537456,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis govaniana,5727971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis govaniana'],6,0,9.315188646316528
1523,5010,-1,,,,0.82879716,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ledebouriana,5232171.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ledebouriana'],6,0,9.315188646316528
1524,5008,-1,,,,0.0,MS1_match,VGWBNVOKYXNHPW-JIIWBXOFSA-N,"InChI=1S/C21H20O12/c22-5-14-17(28)19(30)20(31)21(33-14)16-11(27)4-13-15(18(16)29)10(26)3-12(32-13)6-1-8(24)9(25)2-7(6)23/h1-4,14,17,19-25,27-31H,5H2/t14-,17+,19-,20+,21-/m0/s1",O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O12,pos_1_1sodium1acetonitrile,464.09547608,VGWBNVOKYXNHPW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
1525,5003,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1526,5003,-1,,,,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1sodium,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1527,5002,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9727671,ISDB,XOMRRQXKHMYMOC-OAQYLSRUSA-N,"InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1",CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C23H45NO4,,399.33485892,XOMRRQXKHMYMOC,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,7.391068458557129
1528,5002,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9727671,ISDB,XOMRRQXKHMYMOC-UHFFFAOYSA-N,"InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3",CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C23H45NO4,,399.33485892,XOMRRQXKHMYMOC,Fatty acids,Fatty esters,Fatty acyl carnitines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],2,3,7.391068458557129
1529,5002,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9727671,ISDB,XOMRRQXKHMYMOC-OAQYLSRUSA-N,"InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/t21-/m1/s1",CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C23H45NO4,,399.33485892,XOMRRQXKHMYMOC,Fatty acids,Fatty esters,Fatty acyl carnitines,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,3,7.391068458557129
1530,5001,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ammonium,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,6.5
1531,5001,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ammonium,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
1532,5001,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ammonium,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,6.5
1533,5001,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ammonium,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
1534,5000,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.39611688,ISDB,OWJPGUSQKTZURC-ARHFQXALSA-N,"InChI=1S/C37H38O19/c1-50-24-9-16(4-6-19(24)41)23-12-22(44)29-21(43)10-17(11-25(29)52-23)51-36-35(33(49)31(47)26(13-38)53-36)56-37-34(32(48)30(46)27(14-39)54-37)55-28(45)7-3-15-2-5-18(40)20(42)8-15/h2-12,26-27,30-43,46-49H,13-14H2,1H3/b7-3+/t26-,27-,30-,31-,32+,33+,34-,35-,36-,37+/m1/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)c(O)c4)cc3o2)ccc1O,C37H38O19,,786.200728996,OWJPGUSQKTZURC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sideritis ozturkii,6081668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis ozturkii'],4,3,7.084467530250549
1535,4999,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea acaulis,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,0,7.0
1536,4999,-1,,,,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
1537,4999,-1,,,,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
1538,4999,-1,,,,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
1539,4999,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
1540,4999,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
1541,4999,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
1542,4999,-1,,,,0.0,MS1_match,PJDABWGWSDUIAM-YGZRBXPVSA-N,"InChI=1S/C15H20O5/c1-7-11-9(17)5-15(2)10(18)4-3-8(6-16)12(15)13(11)20-14(7)19/h6,8-13,17-18H,1,3-5H2,2H3/t8-,9-,10+,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](C=O)CC[C@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,PJDABWGWSDUIAM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,0,7.0
1543,4999,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,7.0
1544,4999,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-VNAATALASA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12+,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kandavanensis,785659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kandavanensis'],7,0,7.0
1545,4999,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-UHFFFAOYSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC(C)=O)CC12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea nicolai,7613260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nicolai'],7,0,7.0
1546,4999,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
1547,4999,-1,,,,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
1548,4999,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1proton1ammonium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
1549,4999,-1,,,,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
1550,4999,-1,,,,0.0,MS1_match,YIRQAQBMBKUQDI-JGGVDJITSA-N,"InChI=1S/C15H20O5/c1-8-13-10(17)6-15(2)12(20-15)4-3-9(7-16)5-11(13)19-14(8)18/h5,10-13,16-17H,1,3-4,6-7H2,2H3/b9-5-/t10-,11+,12+,13+,15-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC[C@H]3O[C@@]3(C)C[C@H](O)[C@@H]12,C15H20O5,pos_1_1proton1acetonitrile,280.13107374,YIRQAQBMBKUQDI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
1551,4996,-1,,,,0.0,MS1_match,BAPAICNRGIBFJT-UHFFFAOYSA-O,"InChI=1S/C12H17NO3/c1-13(2,3)8-9-16-12(15)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3/p+1",C[N+](C)(C)CCOC(O)=C1C=CC(=O)C=C1,C12H18NO3+,pos_1_1proton2acetonitrile,224.12811985609,BAPAICNRGIBFJT,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
1552,4996,-1,,,,0.0,MS1_match,IWPOSDLLFZKGOW-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10)",CCCCC=CCC(=O)O,C8H14O2,pos_2MNa,142.099379688,IWPOSDLLFZKGOW,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
1553,4995,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_2MNa,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
1554,4995,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-HYXAFXHYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3-",COc1cc(/C=C\C(=O)O)ccc1O,C10H10O4,pos_2MNa,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia hylonoma,264674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hylonoma'],7,0,7.0
1555,4992,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.26536143,ISDB,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,10.561445713043213
1556,4989,234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8699858,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.97994327545166
1557,4988,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_minus1proton1iron,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,0,6.0
1558,4988,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_minus1proton1iron,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,0,6.0
1559,4987,-1,,,,0.7244936,ISDB,RYLIRGXRKITDFZ-FNCQTZNRSA-N,"InChI=1S/C22H24N2O4/c23-15-1-2-16-24(21(27)13-7-17-3-9-19(25)10-4-17)22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16,23H2/b13-7+,14-8+",NCCCCN(C(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C22H24N2O4,,380.173607248,RYLIRGXRKITDFZ,Alkaloids,Ornithine alkaloids,Polyamines,Arum maculatum,481976.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Areae'],['Arum'],['Arum maculatum'],4,0,6.897974491119385
1560,4986,-1,,,,0.22165652,ISDB,,,,,,,TVONNASKRVAGDB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8866260647773743
1561,4984,275,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,ZJTJUVIJVLLGSP-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)",Cc1cc2nc3nc(O)nc(O)c3nc2cc1C,C12H10N4O2,pos_1_1proton1isopropanol,242.08037556,ZJTJUVIJVLLGSP,Alkaloids,Anthranilic acid alkaloids,Phenazine alkaloids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
1562,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cuneifolia,992160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cuneifolia'],7,3,8.5
1563,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,3,8.5
1564,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
1565,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus huber-morathii,3894439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus huber-morathii'],7,3,8.5
1566,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea tougourensis,3894115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea tougourensis'],7,3,8.5
1567,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Echinops echinatus,963640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops echinatus'],7,3,8.5
1568,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,3,8.5
1569,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,3,8.5
1570,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,3,8.5
1571,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
1572,4983,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
1573,4982,-1,,,,0.0,MS1_match,GDSYPXWUHMRTHT-SPFKKGSWSA-N,"InChI=1S/C11H19NO6/c1-11(2,3-4-12)18-10-9(16)8(15)7(14)6(5-13)17-10/h6-10,13-16H,3,5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1",CC(C)(CC#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1isopropanol,261.121237328,GDSYPXWUHMRTHT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
1574,4982,-1,,,,0.0,MS1_match,CQWWASNOGSDPRL-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1",CC(C)[C@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_1proton1isopropanol,261.121237328,CQWWASNOGSDPRL,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
1575,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
1576,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
1577,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,0,7.0
1578,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,0,7.0
1579,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,0,7.0
1580,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,0,7.0
1581,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
1582,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
1583,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,0,7.0
1584,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,0,7.0
1585,4980,-1,,,,0.0,MS1_match,YXNKOCZXAVTXTG-UHFFFAOYSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3",COc1cc(C2Oc3c(OC)cc(CC4COC(=O)C4Cc4cc(OC)c5c(c4)C(CO)C(c4ccc(O)c(OC)c4)O5)cc3C2CO)ccc1O,C40H42O12,pos_2_1proton1sodium,714.267626784,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Cousinia,597720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Unknown'],7,0,7.0
1586,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neopulchella,1060168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neopulchella'],7,0,7.0
1587,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neoserrata,1021278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neoserrata'],7,0,7.0
1588,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,0,7.0
1589,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus junonianus,404587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus junonianus'],7,0,7.0
1590,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
1591,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
1592,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea eopygmaea,869865.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea eopygmaea'],7,0,7.0
1593,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea brunneopilosa,410121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea brunneopilosa'],7,0,7.0
1594,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],7,0,7.0
1595,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria crupinoides,1036515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria crupinoides'],7,0,7.0
1596,4980,-1,,,,0.0,MS1_match,YXNKOCZXAVTXTG-UHFFFAOYSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3",COc1cc(C2Oc3c(OC)cc(CC4COC(=O)C4Cc4cc(OC)c5c(c4)C(CO)C(c4ccc(O)c(OC)c4)O5)cc3C2CO)ccc1O,C40H42O12,pos_2_1proton1sodium,714.267626784,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Arctium,465432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Unknown'],7,0,7.0
1597,4980,-1,,,,0.0,MS1_match,YXNKOCZXAVTXTG-NYGVLQSXSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(C[C@H]4COC(=O)[C@@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@@H](c4ccc(O)c(OC)c4)O5)cc3[C@@H]2CO)ccc1O,C40H42O12,pos_2_1proton1sodium,714.2676267840001,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
1598,4980,-1,,,,0.0,MS1_match,YXNKOCZXAVTXTG-UHFFFAOYSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3",COc1cc(C2Oc3c(OC)cc(CC4COC(=O)C4Cc4cc(OC)c5c(c4)C(CO)C(c4ccc(O)c(OC)c4)O5)cc3C2CO)ccc1O,C40H42O12,pos_2_1proton1sodium,714.267626784,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Cousinia,597720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Unknown'],7,0,7.0
1599,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,0,7.0
1600,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,0,7.0
1601,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1602,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1603,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
1604,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,0,7.0
1605,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
1606,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,0,7.0
1607,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
1608,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,0,7.0
1609,4980,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
1610,4980,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1611,4980,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,0,7.0
1612,4980,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1613,4980,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-RMCNWUJSSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
1614,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
1615,4980,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-NZLQQEQQSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
1616,4980,-1,,,,0.0,MS1_match,YRUWRVGOCZWDBR-UVTPGSKWSA-N,"InChI=1S/C19H22O6/c1-11-5-4-6-14(10-21)8-16(24-18(22)12(2)9-20)17-13(3)19(23)25-15(17)7-11/h5,8,10,15-17,20H,2-4,6-7,9H2,1H3/b11-5-,14-8+/t15-,16+,17+/m1/s1",C=C(CO)C(=O)O[C@H]1/C=C(/C=O)CC/C=C(/C)C[C@H]2OC(=O)C(=C)[C@H]12,C19H22O6,pos_1_1sodium,346.14163842399995,YRUWRVGOCZWDBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
1617,4980,-1,,,,0.0,MS1_match,YRUWRVGOCZWDBR-UVTPGSKWSA-N,"InChI=1S/C19H22O6/c1-11-5-4-6-14(10-21)8-16(24-18(22)12(2)9-20)17-13(3)19(23)25-15(17)7-11/h5,8,10,15-17,20H,2-4,6-7,9H2,1H3/b11-5-,14-8+/t15-,16+,17+/m1/s1",C=C(CO)C(=O)O[C@H]1/C=C(/C=O)CC/C=C(/C)C[C@H]2OC(=O)C(=C)[C@H]12,C19H22O6,pos_1_1sodium,346.14163842399995,YRUWRVGOCZWDBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
1618,4980,-1,,,,0.0,MS1_match,YEIAHHGCPUIGOQ-ZMIPQNLBSA-N,"InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12-,13+,15+,17-,18-,19-/m1/s1",C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23,C19H22O6,pos_1_1sodium,346.141638424,YEIAHHGCPUIGOQ,Terpenoids,Diterpenoids,,Centaurea sulphurea,539756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sulphurea'],7,0,7.0
1619,4980,-1,,,,0.0,MS1_match,YEIAHHGCPUIGOQ-ZMIPQNLBSA-N,"InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12-,13+,15+,17-,18-,19-/m1/s1",C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23,C19H22O6,pos_1_1sodium,346.141638424,YEIAHHGCPUIGOQ,Terpenoids,Diterpenoids,,Centaurea sulphurea,539756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sulphurea'],7,0,7.0
1620,4980,-1,,,,0.0,MS1_match,SLZZSZNKFRLTEG-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-12(20)15-10(3)17(21)25-16(15)14-9(2)13(6-11(8)14)24-18(22)19(4)7-23-19/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)[C@]4(C)CO4)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,SLZZSZNKFRLTEG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
1621,4980,-1,,,,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
1622,4980,-1,,,,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
1623,4980,-1,,,,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_1_1sodium,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1624,4980,-1,,,,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_1_1sodium,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1625,4980,-1,,,,0.0,MS1_match,YXNKOCZXAVTXTG-NYGVLQSXSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3/t24-,25+,28-,29-,36+,37+/m0/s1",COc1cc([C@H]2Oc3c(OC)cc(C[C@H]4COC(=O)[C@@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@@H](c4ccc(O)c(OC)c4)O5)cc3[C@@H]2CO)ccc1O,C40H42O12,pos_2_1proton1sodium,714.2676267840001,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
1626,4980,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1sodium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
1627,4980,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
1628,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,0,7.0
1629,4980,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,0,7.0
1630,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
1631,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
1632,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,0,7.0
1633,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,0,7.0
1634,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,0,7.0
1635,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,0,7.0
1636,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,0,7.0
1637,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,0,7.0
1638,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea rhaponticoides,5537492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea rhaponticoides'],7,0,7.0
1639,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,0,7.0
1640,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea thracica,569822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea thracica'],7,0,7.0
1641,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,0,7.0
1642,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
1643,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
1644,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
1645,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
1646,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
1647,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,0,7.0
1648,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
1649,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
1650,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
1651,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
1652,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
1653,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
1654,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1655,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,0,7.0
1656,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
1657,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,0,7.0
1658,4980,-1,,,,0.0,MS1_match,YXNKOCZXAVTXTG-UHFFFAOYSA-N,"InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3",COc1cc(C2Oc3c(OC)cc(CC4COC(=O)C4Cc4cc(OC)c5c(c4)C(CO)C(c4ccc(O)c(OC)c4)O5)cc3C2CO)ccc1O,C40H42O12,pos_2_1proton1sodium,714.267626784,YXNKOCZXAVTXTG,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Arctium,465432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Unknown'],7,0,7.0
1659,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum serratuloides,385654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum serratuloides'],7,0,7.0
1660,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
1661,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
1662,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1663,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1664,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,0,7.0
1665,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
1666,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea lipschitzii,7612463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea lipschitzii'],7,0,7.0
1667,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia adenosticta,368326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia adenosticta'],7,0,7.0
1668,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,0,7.0
1669,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1670,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
1671,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1672,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,0,7.0
1673,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
1674,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,0,7.0
1675,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,0,7.0
1676,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
1677,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea ptosimopappoides,49199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ptosimopappoides'],7,0,7.0
1678,4980,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1sodium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurothamnus maximus,879499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurothamnus'],['Centaurothamnus maximus'],7,0,7.0
1679,4979,505,Terpenoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,MBNLVIXQRQMLBE-NSHDSACASA-N,"InChI=1S/C15H18O7/c1-15(2,19)11(16)7-21-10-6-9-8(4-5-12(17)22-9)13(18)14(10)20-3/h4-6,11,16,18-19H,7H2,1-3H3/t11-/m0/s1",COc1c(OC[C@H](O)C(C)(C)O)cc2oc(=O)ccc2c1O,C15H18O7,pos_1_1sodium,310.105252916,MBNLVIXQRQMLBE,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon alopecuroides,5920997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon alopecuroides'],6,3,7.5
1680,4977,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8515893,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,10.906357288360596
1681,4975,1066,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.6793081,ISDB,FWDWUWPIWNWLFQ-ZWQSCVCHSA-N,"InChI=1S/C27H44O2/c1-17(2)5-10-25-18(3)22-8-9-24-21-7-6-19-15-20(28)11-13-26(19,4)23(21)12-14-27(22,24)16-29-25/h17,19-24,28H,5-16H2,1-4H3/t19-,20-,21+,22+,23-,24-,26-,27-/m0/s1",CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13,C27H44O2,,400.334130648,FWDWUWPIWNWLFQ,Terpenoids,Steroids,Cholestane steroids,Axinella bidderi,2835406.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella bidderi'],2,1,5.2172324657440186
1682,4974,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.38210562,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,6.028422474861145
1683,4972,-1,,,,0.0,MS1_match,IBYXDWNHLOGYIN-OSVRZWSTSA-N,"InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C27H36O4,pos_1_minus1proton1iron,424.261359632,IBYXDWNHLOGYIN,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0
1684,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Onopordum macrocanthum,6057219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum macrocanthum'],7,3,8.5
1685,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,3,8.5
1686,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Onopordum macrocanthum,6057219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum macrocanthum'],7,3,8.5
1687,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Carthamus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,3,8.5
1688,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Carthamus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,3,8.5
1689,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-PLWLBJPKSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31?,32?,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.4233395759999,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Atractylis carduus,140467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylis'],['Atractylis carduus'],7,3,8.5
1690,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-PLWLBJPKSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31?,32?,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.4233395759999,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Atractylis carduus,140467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylis'],['Atractylis carduus'],7,3,8.5
1691,4970,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,3,8.5
1692,4966,488,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDGKMGZVTKHZDA-OSCYGWHCSA-N,"InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C33H53NO6,pos_1_1proton,559.387288416,IDGKMGZVTKHZDA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1693,4966,488,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IDGKMGZVTKHZDA-OSCYGWHCSA-N,"InChI=1S/C33H53NO6/c1-17-5-8-24-18(2)27-25(34(24)15-17)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)39-31-30(38)29(37)28(36)26(16-35)40-31/h6,17-18,20-31,35-38H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C33H53NO6,pos_1_1proton,559.387288416,IDGKMGZVTKHZDA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1694,4964,84,Fatty acids,Fatty amides,N-acyl amines,0.49108893,ISDB,FIGNHNKYVQYJHG-UHFFFAOYSA-N,"InChI=1S/C18H31NO3/c1-4-5-6-9-12-16(20)13-10-7-8-11-14-17(21)19-15-18(2,3)22/h7-8,11,14,22H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)",CCCCCCC(=O)CCC=CC=CC(=O)NCC(C)(C)O,C18H31NO3,,309.230393852,FIGNHNKYVQYJHG,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],1,3,4.464355707168579
1695,4963,161,Carbohydrates,Saccharides,Monosaccharides,0.6797381,ISDB,CLRLHXKNIYJWAW-YOQZMRDMSA-N,"InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1",O=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O1,C9H16O9,,268.079432092,CLRLHXKNIYJWAW,Carbohydrates,Saccharides,Monosaccharides,Oncorhynchus keta,739921.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Salmoniformes'],['Salmonidae'],['Unknown'],['Oncorhynchus'],['Oncorhynchus keta'],2,3,6.218952417373657
1696,4962,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,LZPTZBKFVPQQHO-HWQXPBHNSA-N,"InChI=1S/C37H38O18/c1-50-20-9-14(10-21(51-2)28(20)44)3-8-23(42)55-37-27(43)18(41)13-52-36(37)25-30(46)24-17(40)11-19(15-4-6-16(39)7-5-15)53-34(24)26(31(25)47)35-33(49)32(48)29(45)22(12-38)54-35/h3-11,18,22,27,29,32-33,35-39,41,43-49H,12-13H2,1-2H3/b8-3+/t18-,22+,27-,29-,32-,33+,35-,36-,37+/m0/s1",COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2c2c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)cc(OC)c1O,C37H38O18,pos_1_1proton,770.205814376,LZPTZBKFVPQQHO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1697,4962,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JMOYVOUOVQTEHY-HWQXPBHNSA-N,"InChI=1S/C37H38O18/c1-50-20-9-14(10-21(51-2)28(20)44)3-8-23(42)55-37-27(43)18(41)13-52-36(37)26-31(47)25(35-33(49)32(48)29(45)22(12-38)54-35)30(46)24-17(40)11-19(53-34(24)26)15-4-6-16(39)7-5-15/h3-11,18,22,27,29,32-33,35-39,41,43-49H,12-13H2,1-2H3/b8-3+/t18-,22+,27-,29-,32-,33+,35-,36-,37+/m0/s1",COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2c2c(O)c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)cc(OC)c1O,C37H38O18,pos_1_1proton,770.205814376,JMOYVOUOVQTEHY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
1698,4958,-1,,,,0.0,MS1_match,HEDWARVMLLWCKH-UHFFFAOYSA-N,"InChI=1S/C36H44N2O6/c1-37(2)26-16-21(17-27(37)31-30(26)43-31)41-34(39)24-14-15-36(20-10-6-5-7-11-20,25-13-9-8-12-23(24)25)35(40)42-22-18-28-32-33(44-32)29(19-22)38(28,3)4/h5-13,21-22,24,26-33H,14-19H2,1-4H3/q+2",C[N+]1(C)C2CC(OC(=O)C3CCC(C(=O)OC4CC5C6OC6C(C4)[N+]5(C)C)(c4ccccc4)c4ccccc43)CC1C1OC12,C36H44N2O6+2,pos_1_minus1proton2sodium,600.31883996818,HEDWARVMLLWCKH,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0
1699,4957,-1,,,,0.0,MS1_match,UXXAEVMOIUAYQT-BDOJHUBJSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8?,16-,18?,19-,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.116211524,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
1700,4957,-1,,,,0.0,MS1_match,UXXAEVMOIUAYQT-BDOJHUBJSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8?,16-,18?,19-,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.116211524,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
1701,4956,-1,,,,0.0,MS1_match,QUOZWMJFTQUXON-UXXRCYHCSA-N,"InChI=1S/C15H20O8/c1-7(17)8-3-4-9(10(5-8)21-2)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1",COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H20O8,pos_1_1sodium1acetonitrile,328.1158175999999,QUOZWMJFTQUXON,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
1702,4956,-1,,,,0.0,MS1_match,QUOZWMJFTQUXON-UXXRCYHCSA-N,"InChI=1S/C15H20O8/c1-7(17)8-3-4-9(10(5-8)21-2)22-15-14(20)13(19)12(18)11(6-16)23-15/h3-5,11-16,18-20H,6H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1",COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H20O8,pos_1_1sodium1acetonitrile,328.1158175999999,QUOZWMJFTQUXON,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
1703,4953,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,AGLOWEFNIHNCIZ-VFHIEQPNSA-N,"InChI=1S/C38H40O19/c1-51-22-9-15(10-23(52-2)29(22)43)3-8-26(42)53-14-25-31(45)34(48)36(50)38(57-25)56-21-12-20-27(18(41)11-19(54-20)16-4-6-17(40)7-5-16)32(46)28(21)37-35(49)33(47)30(44)24(13-39)55-37/h3-12,24-25,30-31,33-40,43-50H,13-14H2,1-2H3/b8-3+/t24-,25-,30-,31-,33+,34+,35-,36-,37+,38-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,C38H40O19,pos_2_1calcium,800.21637906,AGLOWEFNIHNCIZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
1704,4952,98,Alkaloids,Ornithine alkaloids,Polyamines,0.5270575,ISDB,RNEHQZRKZJSYOL-UHFFFAOYSA-N,"InChI=1S/C25H35N3O6/c29-20-8-4-18(16-22(20)31)6-10-24(33)27-14-2-1-12-26-13-3-15-28-25(34)11-7-19-5-9-21(30)23(32)17-19/h4-5,8-9,16-17,26,29-32H,1-3,6-7,10-15H2,(H,27,33)(H,28,34)",O=C(CCc1ccc(O)c(O)c1)NCCCCNCCCNC(=O)CCc1ccc(O)c(O)c1,C25H35N3O6,,473.25258584,RNEHQZRKZJSYOL,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.608230113983154
1705,4951,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.5789719,ISDB,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,11.815887689590454
1706,4950,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7777703,ISDB,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],5,3,9.61108112335205
1707,4950,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7777703,ISDB,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],5,3,9.61108112335205
1708,4950,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7777703,ISDB,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],5,3,9.61108112335205
1709,4944,413,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,0.7513394,ISDB,UQTDTFGCPOVWBK-CSXWMVMESA-N,"InChI=1S/C22H30O3/c1-18(2)15-12-16(23)20(4)14(19(15,3)10-7-17(24)25-18)6-11-21-8-5-9-22(20,21)13-21/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t14-,15+,19-,20+,21-,22-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]45CCC[C@@]4(C5)[C@]3(C)C(=O)C[C@@H]12,C22H30O3,,342.21949482,UQTDTFGCPOVWBK,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Simarouba amara,452697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simarouba'],['Simarouba amara'],4,3,8.505357503890991
1710,4943,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1711,4943,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_2MNa,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1712,4942,149,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.37528166,ISDB,RNQRMJVOBFMAQT-CAQHWUKGSA-N,"InChI=1S/C18H28O4/c1-12(7-6-8-13(2)19)15(21)11-18-16(3,4)9-14(20)10-17(18,5)22-18/h6-8,13-14,19-20H,9-11H2,1-5H3/b8-6+,12-7-",C/C(=C/C=C/C(C)O)C(=O)CC12OC1(C)CC(O)CC2(C)C,C18H28O4,,308.198759376,RNQRMJVOBFMAQT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Neopetrosia vanilla,4939023.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Neopetrosia'],['Neopetrosia vanilla'],2,3,5.001126646995544
1713,4941,-1,,,,0.0,MS1_match,KCUYKCLNDJQUQH-PKMWOLKKSA-N,"InChI=1S/C23H22O4/c1-3-4-5-6-7-8-9-10-11-12-13-18-27-23(25)17-15-20-14-16-21(24)22(19-20)26-2/h3-4,9-12,14-17,19,24H,13,18H2,1-2H3/b4-3+,10-9+,12-11-,17-15+",C/C=C/C#CC#C/C=C/C=C\CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C23H22O4,pos_1_1proton1dmso,362.151809184,KCUYKCLNDJQUQH,,,,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
1714,4940,-1,,,,0.0,MS1_match,HLZBRVYCKXUHSB-FTTCLZOFSA-N,"InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13-23,26-31H,3-8H2,1-2H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22+,23+,26+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@H]12,C26H36O11,pos_1_1sodium,524.2257619719998,HLZBRVYCKXUHSB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeris japonica,5795099.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris japonica'],6,0,6.0
1715,4940,-1,,,,0.0,MS1_match,HLZBRVYCKXUHSB-FTTCLZOFSA-N,"InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13-23,26-31H,3-8H2,1-2H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22+,23+,26+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@H]12,C26H36O11,pos_1_1sodium,524.2257619719998,HLZBRVYCKXUHSB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeris repens,16894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris repens'],6,0,6.0
1716,4940,-1,,,,0.0,MS1_match,HLZBRVYCKXUHSB-FTTCLZOFSA-N,"InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13-23,26-31H,3-8H2,1-2H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22+,23+,26+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@H]12,C26H36O11,pos_1_1sodium,524.2257619719998,HLZBRVYCKXUHSB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeris stolonifera,518526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris stolonifera'],6,0,6.0
1717,4940,-1,,,,0.0,MS1_match,HLZBRVYCKXUHSB-FTTCLZOFSA-N,"InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13-23,26-31H,3-8H2,1-2H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22+,23+,26+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@H]12,C26H36O11,pos_1_1sodium,524.2257619719998,HLZBRVYCKXUHSB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeridium dentatum,232769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeridium'],['Ixeridium dentatum'],6,0,6.0
1718,4940,-1,,,,0.0,MS1_match,HLZBRVYCKXUHSB-UHFFFAOYSA-N,"InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13-23,26-31H,3-8H2,1-2H3",C=C1CC(OC(=O)C(O)C(C)C)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12,C26H36O11,pos_1_1sodium,524.2257619719998,HLZBRVYCKXUHSB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Crepis zacintha,487035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Crepis'],['Crepis zacintha'],6,0,6.0
1719,4940,-1,,,,0.0,MS1_match,ZWQFMPTUVWOYAB-HLZCITTPSA-N,"InChI=1S/C26H36O11/c1-9(2)19(28)25(33)34-15-6-10(3)13-7-14(11(4)17(13)23-18(15)12(5)24(32)37-23)35-26-22(31)21(30)20(29)16(8-27)36-26/h9,13,15-23,26-31H,3,5-8H2,1-2,4H3/t13-,15+,16+,17-,18+,19+,20+,21-,22+,23+,26+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@H]12,C26H36O11,pos_1_1sodium,524.225761972,ZWQFMPTUVWOYAB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeris stolonifera,518526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris stolonifera'],6,0,6.0
1720,4940,-1,,,,0.0,MS1_match,BTFARVSAIRGHHU-KRNBOSFDSA-N,"InChI=1S/C26H36O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16-18,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,17+,18+,20+,21+,22-,23+,24+,26+/m0/s1",COc1cc(CCCO)cc2c1O[C@H](C1=C[C@@H](OC)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1)[C@H]2CO,C26H36O11,pos_1_1sodium,524.225761972,BTFARVSAIRGHHU,Shikimates and Phenylpropanoids,Lignans,Neolignans,Taraxacum rubicundum,136233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum rubicundum'],6,0,6.0
1721,4940,-1,,,,0.0,MS1_match,HDOOJQQREVNVBO-KRNBOSFDSA-N,"InChI=1S/C26H36O11/c1-33-18-10-14(5-6-17(18)29)24-16(12-35-26-23(32)22(31)21(30)20(11-28)36-26)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16-18,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,17+,18+,20+,21+,22-,23+,24+,26+/m0/s1",COc1cc(CCCO)cc2c1O[C@H](C1=C[C@@H](OC)[C@H](O)C=C1)[C@H]2CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H36O11,pos_1_1sodium,524.225761972,HDOOJQQREVNVBO,Shikimates and Phenylpropanoids,Lignans,Neolignans,Taraxacum rubicundum,136233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum rubicundum'],6,0,6.0
1722,4940,-1,,,,0.0,MS1_match,OQBDEQQBLOQXJR-VNIFNBBBSA-N,"InChI=1S/C26H36O11/c1-12-9-8-10-17(24(31)34-7)20(36-22(29)13(2)15(4)27)21(37-25(32)26(6,33)16(5)28)19-14(3)23(30)35-18(19)11-12/h10-11,13,15-16,18-21,27-28,33H,3,8-9H2,1-2,4-7H3/b12-11-,17-10+/t13-,15+,16+,18-,19+,20+,21+,26+/m1/s1",C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)OC)[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@@H]12,C26H36O11,pos_1_1sodium,524.225761972,OQBDEQQBLOQXJR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tetragonotheca ludoviciana,3898760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Tetragonotheca'],['Tetragonotheca ludoviciana'],6,0,6.0
1723,4939,812,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PLVPPLCLBIEYEA-WAYWQWQTSA-N,"InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5-",O=C(O)/C=C\c1c[nH]c2ccccc12,C11H9NO2,pos_1_1proton1isopropanol,187.063328528,PLVPPLCLBIEYEA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
1724,4937,601,Terpenoids,Steroids,Cholestane steroids,0.36645105,ISDB,OTXNTMVVOOBZCV-WAZJVIJMSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1,C28H42O2,,410.31848058399993,OTXNTMVVOOBZCV,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,1,7.965804219245911
1725,4935,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.31769472,ISDB,WKDBZTLJGGVOGW-VDZAXMOLSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32?/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CCC23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Pseudocnus koellikeri,3652909.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Pseudocnus'],['Pseudocnus koellikeri'],2,3,4.7707788944244385
1726,4935,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.31769472,ISDB,WKDBZTLJGGVOGW-WDPAYILQSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cucumaria frondosa,478655.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Cucumaria'],['Cucumaria frondosa'],2,3,4.7707788944244385
1727,4928,547,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7761176,ISDB,AKCAVBOVRWGORC-WOJBJXKFSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-11-6-15-16(25-9-24-15)7-13(11)20(21)8-12-2-3-14-18(26-10-23-14)17(12)19(20)22/h2-3,6-7,19,22H,4-5,8-10H2,1H3/t19-,20-/m1/s1",CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H19NO5,,353.126322708,AKCAVBOVRWGORC,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],1,3,5.604470491409302
1728,4927,-1,,,,0.4858442,ISDB,DDCXFQXXQUYLQV-LFDWGOBLSA-N,"InChI=1S/C30H44O2/c1-18(2)9-7-10-19(3)23-14-22-16-30(25(23)13-21(22)5)26-15-24-20(4)11-8-12-29(24,6)17-27(26)32-28(30)31/h9,13,19,22-27H,4,7-8,10-12,14-17H2,1-3,5-6H3/t19-,22+,23-,24+,25-,26-,27+,29+,30-/m0/s1",C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@]4(C[C@H]5C[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]4C=C5C)[C@H]3C[C@H]12,C30H44O2,,436.334130648,DDCXFQXXQUYLQV,Terpenoids,,,Helenium autumnale,483908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium autumnale'],4,0,5.943376779556274
1729,4925,301,Amino acids and Peptides,Small peptides,Tripeptides,0.8772304,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,3,11.00892162322998
1730,4925,301,Amino acids and Peptides,Small peptides,Tripeptides,0.8772304,ISDB,RWSXRVCMGQZWBV-WDSKDSINSA-N,"InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1",N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O,C10H17N3O6S,,307.083806264,RWSXRVCMGQZWBV,Amino acids and Peptides,Small peptides,Tripeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,11.00892162322998
1731,4924,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UYTPUPDQBNUYGX-UHFFFAOYSA-N,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",N=c1nc(O)c2nc[nH]c2[nH]1,C5H5N5O,pos_1_1proton,151.04940978,UYTPUPDQBNUYGX,Alkaloids,Pseudoalkaloids,Purine alkaloids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
1732,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,3,8.5
1733,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JZLNEGYYSYMRBG-IATJYDTKSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15-,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,3,8.5
1734,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
1735,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
1736,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
1737,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,3,8.5
1738,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
1739,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,3,8.5
1740,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
1741,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JZLNEGYYSYMRBG-KLOLGFOXSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15+,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,3,8.5
1742,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BKQBPJIALFPDKG-UBJMXQSSSA-N,"InChI=1S/C17H22O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h9,11-16,19H,1-2,5-6H2,3-4H3/t9-,11+,12+,13+,14+,15-,16-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,BKQBPJIALFPDKG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
1743,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1744,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBXGUKUDRCWSKF-KNFRCYCHSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3/t8-,9+,11+,13+,14+,15-,16-/m1/s1",C=C1C[C@H](OC(C)=O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1745,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,3,8.5
1746,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
1747,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,3,8.5
1748,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
1749,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1750,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PHJYCLCTXRJHJZ-SMLCLMEVSA-N,"InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2/t13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,PHJYCLCTXRJHJZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
1751,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1752,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
1753,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,3,8.5
1754,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
1755,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
1756,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
1757,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea linifolia,528737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea linifolia'],7,3,8.5
1758,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
1759,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
1760,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,3,8.5
1761,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
1762,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,3,8.5
1763,4922,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
1764,4921,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_2_2proton2acetonitrile,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1765,4921,-1,,,,0.0,MS1_match,CRSFLLTWRCYNNX-QBNNUVSCSA-N,"InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1",COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,C16H18O10,pos_2_2proton2acetonitrile,370.0899967759999,CRSFLLTWRCYNNX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1766,4920,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.48882428,ISDB,,,,,,,MTJCTIUHXHRTJB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9552971124649048
1767,4917,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6812151,ISDB,WUOGMWBLNQGZRV-ZWKOTPCHSA-N,"InChI=1S/C20H19NO7/c1-21-5-4-10-6-14-15(27-8-26-14)7-12(10)17(21)18(22)11-2-3-13-19(28-9-25-13)16(11)20(23)24/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3,(H,23,24)/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3,C20H19NO7,,385.116151948,WUOGMWBLNQGZRV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis aurea,3944902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis aurea'],1,3,5.224860429763794
1768,4917,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6812151,ISDB,WUOGMWBLNQGZRV-ZWKOTPCHSA-N,"InChI=1S/C20H19NO7/c1-21-5-4-10-6-14-15(27-8-26-14)7-12(10)17(21)18(22)11-2-3-13-19(28-9-25-13)16(11)20(23)24/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3,(H,23,24)/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3,C20H19NO7,,385.116151948,WUOGMWBLNQGZRV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],1,3,5.224860429763794
1769,4916,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,ZXQCHXLLIKMUTB-LHPBVPLZSA-N,"InChI=1S/C32H36O19/c1-11(33)45-9-20-23(38)26(41)28(43)31(49-20)51-30-27(42)24(39)21(10-46-12(2)34)50-32(30)48-19-8-16(37)22-15(36)7-18(47-29(22)25(19)40)13-4-5-17(44-3)14(35)6-13/h4-8,20-21,23-24,26-28,30-32,35,37-43H,9-10H2,1-3H3/t20-,21+,23+,24+,26+,27+,28+,30-,31+,32-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@@H]4O)c(O)c3o2)cc1O,C32H36O19,pos_1_1proton1methanol,724.185078932,ZXQCHXLLIKMUTB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,3,7.5
1770,4914,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,pos_2_2proton1ammonium,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
1771,4912,1254,Alkaloids,Flavonoids,Gallotannins,0.3322885,ISDB,WHNCXIBKVUPNHR-UHFFFAOYSA-N,"InChI=1S/C9H7NO4/c11-5-3-1-2-4-6(5)8(12)7(10-4)9(13)14/h1-3,10-12H,(H,13,14)",O=C(O)c1[nH]c2cccc(O)c2c1O,C9H7NO4,,193.037507704,WHNCXIBKVUPNHR,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,1,5.829154014587402
1772,4909,859,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1ammonium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Agrostemma githago,689981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma githago'],6,3,7.5
1773,4909,859,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1ammonium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Silene armeria,637564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene armeria'],6,3,7.5
1774,4909,859,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1ammonium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Agrostemma githago,689981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma githago'],6,3,7.5
1775,4909,859,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,JLJLRLWOEMWYQK-OBDJNFEBSA-N,"InChI=1S/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1ammonium,348.1572884879999,JLJLRLWOEMWYQK,Terpenoids,Diterpenoids,Gibberellins,Silene armeria,637564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene armeria'],6,3,7.5
1776,4909,859,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-WWSAFQOPSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1ammonium,348.1572884879999,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Silene armeria,637564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene armeria'],6,3,7.5
1777,4909,859,Terpenoids,Diterpenoids,Gibberellins,0.0,MS1_match,BKBYHSYZKIAJDA-WWSAFQOPSA-N,"InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O6,pos_1_1proton1ammonium,348.1572884879999,BKBYHSYZKIAJDA,Terpenoids,Diterpenoids,Gibberellins,Silene armeria,637564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene armeria'],6,3,7.5
1778,4908,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1779,4908,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ethylamine,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1780,4907,495,Terpenoids,Steroids,Cholestane steroids,0.59197176,ISDB,AJWONNNXQUONDT-UAJHHUEASA-N,"InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C27H40O,,380.3079159,AJWONNNXQUONDT,Terpenoids,Steroids,Cholestane steroids,Dendronephthya studeri,3679477.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Dendronephthya'],['Dendronephthya studeri'],2,3,5.867887020111084
1781,4907,495,Terpenoids,Steroids,Cholestane steroids,0.59197176,ISDB,AJWONNNXQUONDT-TXUYKDKASA-N,"InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22-,23+,24-,25-,26+,27+/m0/s1",CC(C)C/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@H]3CC[C@]12C,C27H40O,,380.3079159,AJWONNNXQUONDT,Terpenoids,Steroids,Cholestane steroids,Dendronephthya gigantea,688626.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Dendronephthya'],['Dendronephthya gigantea'],2,3,5.867887020111084
1782,4907,495,Terpenoids,Steroids,Cholestane steroids,0.59197176,ISDB,AJWONNNXQUONDT-UAJHHUEASA-N,"InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)C/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,C27H40O,,380.3079159,AJWONNNXQUONDT,Terpenoids,Steroids,Cholestane steroids,Lemnalia cervicornis,4713433.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia cervicornis'],2,3,5.867887020111084
1783,4906,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.0,MS1_match,BRHDDEIRQPDPMG-WCBMZHEXSA-N,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1",C=C[C@]1(C)CC[C@@H](C(C)(C)O)O1,C10H18O2,pos_1_1proton2acetonitrile,170.130679816,BRHDDEIRQPDPMG,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
1784,4905,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.32435706,ISDB,QSJLPZFFEQXJHO-UHFFFAOYSA-N,"InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,24-16(12)21)17(22)23-10-13-5-7-19-8-6-14(20)15(13)19/h5,11-12,14-15,20H,4,6-10H2,1-3H3",CCC1CC(C)C(C)(C(=O)OCC2=CCN3CCC(O)C23)OC1=O,C18H27NO5,,337.188922964,QSJLPZFFEQXJHO,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Ligularia lankongensis,949838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia lankongensis'],4,2,6.297428250312805
1785,4901,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.48184896,ISDB,QXPNCCVBNLAVEG-SFTDATJTSA-N,"InChI=1S/C21H21NO6/c1-22-6-5-12-7-16-17(26-10-25-16)8-14(12)21(22)9-13-3-4-15-19(27-11-24-15)18(13)20(23-2)28-21/h3-4,7-8,20H,5-6,9-11H2,1-2H3/t20-,21-/m0/s1",CO[C@H]1O[C@@]2(Cc3ccc4c(c31)OCO4)c1cc3c(cc1CCN2C)OCO3,C21H21NO6,,383.136887392,QXPNCCVBNLAVEG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],1,3,4.427395820617676
1786,4897,1371,Terpenoids,Sesquiterpenoids,Fatty alcohols,0.5170559,ISDB,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.068223714828491
1787,4896,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3373083,ISDB,UOMBURBYNOYDKO-ZHXAXXGGSA-N,"InChI=1S/C26H38O7/c1-14-10-9-11-26(8,33-18(5)29)24-22-21(19(12-14)31-24)15(2)13-20(30-16(3)27)23(22)25(6,7)32-17(4)28/h10,13,19-24H,9,11-12H2,1-8H3/b14-10+/t19-,20+,21+,22-,23-,24-,26+/m0/s1",CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)OC(C)=O)[C@@H]1O[C@H]2C/C(C)=C/CC[C@@]1(C)OC(C)=O,C26H38O7,,462.261753556,UOMBURBYNOYDKO,Terpenoids,Diterpenoids,Eunicellane diterpenoids,Muricella,217132.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Acanthogorgiidae'],['Unknown'],['Muricella'],['Unknown'],2,2,4.349233150482178
1788,4896,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.3373083,ISDB,UOMBURBYNOYDKO-ZHXAXXGGSA-N,"InChI=1S/C26H38O7/c1-14-10-9-11-26(8,33-18(5)29)24-22-21(19(12-14)31-24)15(2)13-20(30-16(3)27)23(22)25(6,7)32-17(4)28/h10,13,19-24H,9,11-12H2,1-8H3/b14-10+/t19-,20+,21+,22-,23-,24-,26+/m0/s1",CC(=O)O[C@@H]1C=C(C)[C@H]2[C@@H]([C@H]1C(C)(C)OC(C)=O)[C@@H]1O[C@H]2C/C(C)=C/CC[C@@]1(C)OC(C)=O,C26H38O7,,462.261753556,UOMBURBYNOYDKO,Terpenoids,Diterpenoids,Eunicellane diterpenoids,Astrogorgia,508118.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Astrogorgia'],['Unknown'],2,2,4.349233150482178
1789,4895,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OUDFNZMQXZILJD-UHFFFAOYSA-N,"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",Cc1ccc(C=O)o1,C6H6O2,pos_1_1proton1acetonitrile,110.036779432,OUDFNZMQXZILJD,Polyketides,Cyclic polyketides,Furans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
1790,4894,-1,,,,0.0,MS1_match,JCWQENUEJOVTIV-YHPRMOQLSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-13-7-10(4)15-14(13)9(3)6-12(20)16-11(5)19(22)24-17(15)16/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14+,15-,16+,17+/m0/s1",C=C1C[C@H](OC(=O)C(C)C)[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,JCWQENUEJOVTIV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1791,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus junonianus,404587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus junonianus'],7,0,7.0
1792,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,0,7.0
1793,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
1794,4894,-1,,,,0.0,MS1_match,HMWGYLUJHPBFQV-YUZWDKKQSA-N,"InChI=1S/C19H24O5/c1-11(2)18(21)23-15-8-12(3)6-5-7-14(10-20)9-16-17(15)13(4)19(22)24-16/h6,9,15-17,20H,1,4-5,7-8,10H2,2-3H3/b12-6+,14-9-/t15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,HMWGYLUJHPBFQV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus intybaceus,404582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus intybaceus'],7,0,7.0
1795,4894,-1,,,,0.0,MS1_match,ZNXKZMIVEDDWGE-LKCSHLFESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-7-12-9(3)6-13(20)16-11(5)19(22)24-17(16)15(12)10(14)4/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13+,14+,15+,16+,17-/m1/s1",C=C(C)C(=O)O[C@H]1C[C@@H]2C(=C)C[C@H](O)[C@H]3[C@H](OC(=O)[C@@H]3C)[C@H]2C1=C,C19H24O5,pos_1_1proton1ethylamine,332.162373868,ZNXKZMIVEDDWGE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum longifolium,1012807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum longifolium'],7,0,7.0
1796,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
1797,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
1798,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,0,7.0
1799,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
1800,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-NQLMQOPMSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
1801,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,0,7.0
1802,4894,-1,,,,0.0,MS1_match,IXOAQFFFKPCXLB-OGEQHFGCSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21,C19H24O5,pos_1_1proton1ethylamine,332.162373868,IXOAQFFFKPCXLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
1803,4894,-1,,,,0.0,MS1_match,IXOAQFFFKPCXLB-OPCFMFSHSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13+,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21,C19H24O5,pos_1_1proton1ethylamine,332.162373868,IXOAQFFFKPCXLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
1804,4894,-1,,,,0.0,MS1_match,IXOAQFFFKPCXLB-LKCSHLFESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h11-17,20H,1,3-4,6-7H2,2,5H3/t11-,12-,13+,14+,15+,16+,17-/m1/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]21,C19H24O5,pos_1_1proton1ethylamine,332.162373868,IXOAQFFFKPCXLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum longifolium,1012807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum longifolium'],7,0,7.0
1805,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus metlesicsii,404580.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus metlesicsii'],7,0,7.0
1806,4894,-1,,,,0.0,MS1_match,KCMNJMYYSFJSAZ-XIZJWTTESA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1",C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,KCMNJMYYSFJSAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
1807,4894,-1,,,,0.0,MS1_match,IHVPTRBJWKUCFE-QBCQSLFDSA-N,"InChI=1S/C19H28O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-16,21-24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,16-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@]12O,C19H28O5,pos_1_1proton1acetonitrile,336.193673996,IHVPTRBJWKUCFE,Terpenoids,Steroids,Ecdysteroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
1808,4894,-1,,,,0.0,MS1_match,JCWQENUEJOVTIV-YHPRMOQLSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-13-7-10(4)15-14(13)9(3)6-12(20)16-11(5)19(22)24-17(15)16/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14+,15-,16+,17+/m0/s1",C=C1C[C@H](OC(=O)C(C)C)[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,JCWQENUEJOVTIV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1809,4894,-1,,,,0.0,MS1_match,FQKDBWKMFCRELP-PDGWKQKYSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h10,12-17,20H,1,3,5-7H2,2,4H3/t10-,12+,13+,14+,15+,16-,17-/m1/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@H](C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O5,pos_1_1proton1ethylamine,332.162373868,FQKDBWKMFCRELP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
1810,4894,-1,,,,0.0,MS1_match,PVMRWMPTZVVVJM-JQVOGXOBSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)24-17-13-9(3)6-7-12-10(4)19(22)23-16(12)14(13)11(5)15(17)20/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15+,16-,17+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,PVMRWMPTZVVVJM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1811,4894,-1,,,,0.0,MS1_match,PVMRWMPTZVVVJM-JQVOGXOBSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)24-17-13-9(3)6-7-12-10(4)19(22)23-16(12)14(13)11(5)15(17)20/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14-,15+,16-,17+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)C)[C@@H]12,C19H24O5,pos_1_1proton1ethylamine,332.162373868,PVMRWMPTZVVVJM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
1812,4894,-1,,,,0.0,MS1_match,XXYMNUOJMDOHBS-WJWMFLMHSA-N,"InChI=1S/C20H27NO4/c1-11-5-8-14-15(10-21-9-3-4-16(21)19(22)23)20(24)25-18(14)17-12(2)6-7-13(11)17/h13-18H,1-10H2,(H,22,23)/t13-,14-,15-,16+,17-,18-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@@H]3C(=O)O)[C@@H]12,C20H27NO4,pos_1_1proton1methanol,345.194008344,XXYMNUOJMDOHBS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
1813,4894,-1,,,,0.0,MS1_match,IHVPTRBJWKUCFE-QBCQSLFDSA-N,"InChI=1S/C19H28O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-16,21-24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,16-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@]12O,C19H28O5,pos_1_1proton1acetonitrile,336.193673996,IHVPTRBJWKUCFE,Terpenoids,Steroids,Ecdysteroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
1814,4892,338,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,0.0,MS1_match,ONIBWKKTOPOVIA-BYPYZUCNSA-N,"InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1",O=C(O)[C@@H]1CCCN1,C5H9NO2,pos_1_1proton1isopropanol,115.063328528,ONIBWKKTOPOVIA,Amino acids and Peptides,Small peptides,Aminoacids,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],9,0,9.0
1815,4889,-1,,,,0.65476835,ISDB,HZOPRCJNDRDOGQ-GOIFDTIGSA-N,"InChI=1S/C18H26O3/c1-10(2)12-6-5-11(3)17-9-13-7-14(17)15(19)21-18(17,8-12)16(13,4)20/h8,10-11,13-14,20H,5-7,9H2,1-4H3/t11-,13+,14+,16-,17-,18+/m1/s1",CC(C)C1=C[C@@]23OC(=O)[C@@H]4C[C@@H](C[C@@]42[C@H](C)CC1)[C@@]3(C)O,C18H26O3,,290.188194692,HZOPRCJNDRDOGQ,Terpenoids,Diterpenoids,,Sinularia nanolobata,962993.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia nanolobata'],2,0,4.619073390960693
1816,4888,-1,,,,0.0,MS1_match,KQDOTXAUJBODDM-UHFFFAOYSA-N,"InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C28H32O14,pos_1_1proton,592.179205704,KQDOTXAUJBODDM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
1817,4886,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.4399129,ISDB,GBWWXWBDOAISMH-UHFFFAOYSA-N,"InChI=1S/C32H48O4/c1-19(2)15-22-16-21(18-35-22)23-11-14-31(7)24-9-10-26-29(4,5)27(34)12-13-30(26,6)25(24)17-28(32(23,31)8)36-20(3)33/h9,15,21-23,25-26,28H,10-14,16-18H2,1-8H3",CC(=O)OC1CC2C(=CCC3C(C)(C)C(=O)CCC23C)C2(C)CCC(C3COC(C=C(C)C)C3)C12C,C32H48O4,,496.355260016,GBWWXWBDOAISMH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Trichilia prieureana,512080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Trichilia'],['Trichilia prieureana'],1,3,4.2596515417099
1818,4882,68,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.68764734,ISDB,NYFGVUCTLCDUFF-SKCDSABHSA-N,"InChI=1S/C25H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30-5)23-31-21-24(27)22-33-34(28,29)32-20-19-26(2,3)4/h16-17,24-25,27H,6-15,18-23H2,1-5H3/t24-,25?/m0/s1",CCCCCCCCCCCC=CCC(COC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C)OC,C25H52NO7P,,509.348139634,NYFGVUCTLCDUFF,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,4.250589370727539
1819,4881,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.0,MS1_match,MBBOMCVGYCRMEA-UHFFFAOYSA-N,"InChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2",OCCc1c[nH]c2ccccc12,C10H11NO,pos_1_1proton1ethylamine,161.084063972,MBBOMCVGYCRMEA,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
1820,4878,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.63355243,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],4,1,7.034209728240967
1821,4878,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.63355243,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea deusta,720460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deusta'],4,1,7.034209728240967
1822,4878,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.63355243,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,1,7.034209728240967
1823,4878,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.63355243,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],4,1,7.034209728240967
1824,4878,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.63355243,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,1,7.034209728240967
1825,4878,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.63355243,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],4,1,7.034209728240967
1826,4874,280,,,,0.5912479,ISDB,,,,,,,KFQUQCFJDMSIJF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3649916648864746
1827,4873,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.21191882,ISDB,LVWCGFQTAFKQBI-DWBQKEMDSA-N,"InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1",CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C,C30H42O6,,498.298139064,LVWCGFQTAFKQBI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,1,8.347675263881683
1828,4872,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1829,4872,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1830,4872,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
1831,4868,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6884412,ISDB,WTVDRHSULHNSJV-LIRRHRJNSA-N,"InChI=1S/C19H23NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4,7,10,14H,5-6,8-9,11H2,1-3H3/t14-,19-/m0/s1",COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)C[C@@H]3N(C)CC2,C19H23NO3,,313.167793596,WTVDRHSULHNSJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,3,10.253764867782593
1832,4867,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.508078,ISDB,IWAWDKXYERYUIS-YKLGVVQGSA-N,"InChI=1S/C20H18O9/c21-9-3-1-8(2-4-9)13-5-10(22)15-14(29-13)6-11(23)16(18(15)26)20-19(27)17(25)12(24)7-28-20/h1-6,12,17,19-21,23-27H,7H2/t12-,17-,19?,20-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3OC[C@H](O)[C@H](O)C3O)c(O)c12,C20H18O9,,402.095082156,IWAWDKXYERYUIS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,11.532311916351318
1833,4864,-1,,,,0.0,MS1_match,YNSRHGCGBFCDGK-HARNWUIMSA-N,"InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC,C45H76O10,pos_1_1sodium,776.543848632,YNSRHGCGBFCDGK,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
1834,4864,-1,,,,0.0,MS1_match,MZJVEEJEYSKNPH-OSTDEYQUSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37-,40+,41+,42-,43-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C43H78O10,pos_1_minus1proton2sodium,754.559498696,MZJVEEJEYSKNPH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0
1835,4864,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
1836,4864,-1,,,,0.0,MS1_match,QOCWWAJCODFCIV-MQDIHCEXSA-N,"InChI=1S/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,36-37,40-44,47-49H,3-10,12,14-16,19-35H2,1-2H3/b13-11-,18-17-/t36-,37+,40-,41-,42+,43+/m0/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C43H78O10,pos_1_minus1proton2sodium,754.559498696,QOCWWAJCODFCIV,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
1837,4862,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
1838,4862,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-JMYXGHFSSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3-/t11-,12-,14-,16+/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,3,8.5
1839,4862,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-JMYXGHFSSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3-/t11-,12-,14-,16+/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,3,8.5
1840,4862,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
1841,4861,607,,,,0.2945124,ISDB,,,,,,,MAEAHJWRAJIOQG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1780495643615723
1842,4859,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.20796914,ISDB,OYHXDUWERFEPRP-GAJNJCMXSA-N,"InChI=1S/C32H50O6/c1-18(10-9-11-19(2)28(36)37)22-16-25(35)32(8)27-21(12-15-31(22,32)7)30(6)14-13-26(38-20(3)33)29(4,5)24(30)17-23(27)34/h11,18,22-26,34-35H,9-10,12-17H2,1-8H3,(H,36,37)/b19-11+/t18-,22-,23-,24+,25+,26+,30-,31-,32+/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3,C32H50O6,,530.3607393199999,OYHXDUWERFEPRP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Ganoderma,3803604.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Unknown'],1,3,3.331876575946808
1843,4858,-1,,,,0.39662963,ISDB,LVNFIOGAAUPIPC-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc(C=CC(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia dubia,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,7.5865185260772705
1844,4858,-1,,,,0.39662963,ISDB,LVNFIOGAAUPIPC-YMILTQATSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc(C=CC(=O)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C16H20O9,,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia velutina,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,7.5865185260772705
1845,4855,-1,,,,0.42817912,ISDB,CEVNHRPKRNTGKO-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3",C=C(C)C1CCC2(C1)C(C)CC(O)CC2C=O,C15H24O2,,236.177630008,CEVNHRPKRNTGKO,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.712716460227966
1846,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,3,9.918347239494324
1847,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,3,9.918347239494324
1848,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,3,9.918347239494324
1849,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,9.918347239494324
1850,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,9.918347239494324
1851,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,9.918347239494324
1852,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,9.918347239494324
1853,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,9.918347239494324
1854,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,3,9.918347239494324
1855,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,3,9.918347239494324
1856,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,3,9.918347239494324
1857,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,3,9.918347239494324
1858,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,9.918347239494324
1859,4854,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.3545868,ISDB,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,3,9.918347239494324
1860,4853,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VPTARALPQYFNJF-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-20-15-10-11(2-8-14(15)18)3-9-16(19)21-13-6-4-12(17)5-7-13/h2-10,17-18H,1H3",COc1cc(C=CC(=O)Oc2ccc(O)cc2)ccc1O,C16H14O5,pos_1_1proton1dmso,286.084123548,VPTARALPQYFNJF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Liatris elegans,509207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Liatris'],['Liatris elegans'],6,3,7.5
1861,4852,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_2MFe,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Stellaria media,432718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria media'],7,0,7.0
1862,4852,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_2MFe,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Stellaria media,432718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria media'],7,0,7.0
1863,4852,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_2MFe,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Stellaria media,432718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria media'],7,0,7.0
1864,4851,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.95178074,ISDB,MJLXQSQYKZWZCB-OKLKQMLOSA-N,"InChI=1S/C25H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9+,13-12+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C25H45NO4,,423.33485892,MJLXQSQYKZWZCB,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,7.3071229457855225
1865,4845,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6579194,ISDB,DNYGRDBARHAWAJ-YHBOFVJASA-N,"InChI=1S/C15H20O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h9-14,16H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13+,14+/m0/s1",C=C1C(=O)O[C@H]2[C@@H]3[C@@H](C)[C@H](O)C[C@@H]3C(=C)CC[C@H]12,C15H20O3,,248.1412445,DNYGRDBARHAWAJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,3,11.131677627563477
1866,4841,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,AVKVSPVJSULWPS-JNFWLDLMSA-N,"InChI=1S/C31H42O8/c1-15-10-23(38-27(34)16(15)2)17(3)21-12-26(37-18(4)32)31(35)22-13-25-30(39-25)14-19(36-7)11-24(33)29(30,6)20(22)8-9-28(21,31)5/h12,17,19-20,22-23,25-26,35H,8-11,13-14H2,1-7H3/t17-,19-,20-,22+,23+,25+,26-,28+,29-,30+,31-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)=C[C@H](OC(C)=O)[C@@]4(O)[C@@H]3C[C@H]3O[C@]32C1,C31H42O8,pos_2MFe,542.2879683039998,AVKVSPVJSULWPS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5
1867,4838,1179,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2_1magnesium,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,1,7.5
1868,4835,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4889553,ISDB,SCULJPGYOQQXTK-UHFFFAOYSA-N,"InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3",CC(=O)OC1C(c2ccc(=O)oc2)C2(C)CCC3C(CCC4CC(O)CCC43C)C23OC13,C26H34O6,,442.235538808,SCULJPGYOQQXTK,Terpenoids,Steroids,Bufadienolides,Bufo gargarizans,279549.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Bufonidae'],['Unknown'],['Bufo'],['Bufo gargarizans'],2,1,4.45582115650177
1869,4835,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4889553,ISDB,SCULJPGYOQQXTK-BNKMTZKOSA-N,"InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22+,23-,24+,25-,26-/m1/s1",CC(=O)O[C@@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1,C26H34O6,,442.235538808,SCULJPGYOQQXTK,Terpenoids,Steroids,Bufadienolides,Bufo bufo,889350.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Bufonidae'],['Unknown'],['Bufo'],['Bufo bufo'],2,1,4.45582115650177
1870,4835,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4889553,ISDB,SCULJPGYOQQXTK-OLRINKBESA-N,"InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1",CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1,C26H34O6,,442.235538808,SCULJPGYOQQXTK,Terpenoids,Steroids,Bufadienolides,Bufo,187219.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Bufonidae'],['Unknown'],['Bufo'],['Unknown'],2,1,4.45582115650177
1871,4835,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.4889553,ISDB,SCULJPGYOQQXTK-OLRINKBESA-N,"InChI=1S/C26H34O6/c1-14(27)31-22-21(15-4-7-20(29)30-13-15)25(3)11-9-18-19(26(25)23(22)32-26)6-5-16-12-17(28)8-10-24(16,18)2/h4,7,13,16-19,21-23,28H,5-6,8-12H2,1-3H3/t16-,17+,18+,19-,21+,22-,23-,24+,25-,26-/m1/s1",CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1c1ccc(=O)oc1,C26H34O6,,442.235538808,SCULJPGYOQQXTK,Terpenoids,Steroids,Bufadienolides,Phrynoidis asper,335213.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Bufonidae'],['Unknown'],['Phrynoidis'],['Phrynoidis asper'],2,1,4.45582115650177
1872,4833,334,Terpenoids,Triterpenoids,Cholestane steroids,0.33010697,ISDB,DLOIQQCWWNAIQK-YAOUQSKRSA-N,"InChI=1S/C31H50O5/c1-18(19(2)27(4,5)34)26(35-20(3)32)30(8)31(36-30)16-13-25-23-10-9-21-17-22(33)11-14-28(21,6)24(23)12-15-29(25,31)7/h18-19,21,23-26,34H,9-17H2,1-8H3/t18-,19-,21-,23+,24-,25-,26+,28-,29-,30-,31-/m0/s1",CC(=O)O[C@H]([C@@H](C)[C@H](C)C(C)(C)O)[C@]1(C)O[C@]12CC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C,C31H50O5,,502.3658247,DLOIQQCWWNAIQK,Terpenoids,Steroids,Cholestane steroids,Isis hippuris,87416.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Isididae'],['Unknown'],['Isis'],['Isis hippuris'],2,3,4.820427894592285
1873,4831,28,Shikimates and Phenylpropanoids,Cyclic polyketides,Furans,0.3534854,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,6.9139416217803955
1874,4830,-1,,,,0.0,MS1_match,KGOXHMOIWNXGRZ-RSMRVGMWSA-N,"InChI=1S/C35H62O8/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-16-28(37)35(41)17-22(12-15-34(35,6)26(23)13-14-33(24,25)5)42-32-31(40)30(39)29(38)27(18-36)43-32/h19-32,36-41H,7-18H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27-,28-,29-,30+,31-,32-,33-,34-,35+/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H62O8,pos_2_2sodium,610.4444689439998,KGOXHMOIWNXGRZ,Terpenoids,Steroids,Stigmastane steroids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
1875,4830,-1,,,,0.0,MS1_match,OHBHGGYGWZIWCX-UHFFFAOYSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3",C=C1CCC2C(OC(=O)C2(O)CO)C2C1CC(O)C2C,C15H22O5,pos_1_1proton1ethylamine,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara,991883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Unknown'],7,0,7.0
1876,4830,-1,,,,0.0,MS1_match,OHBHGGYGWZIWCX-UOHBJPFUSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,pos_1_1proton1ethylamine,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1877,4830,-1,,,,0.0,MS1_match,OHBHGGYGWZIWCX-DEJOPHEWSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13-,15+/m1/s1",C=C1CC[C@@H]2[C@@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,pos_1_1proton1ethylamine,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
1878,4830,-1,,,,0.0,MS1_match,PJGXBSCTZLDUJY-YFUJPLHVSA-N,"InChI=1S/C15H22O5/c1-7-11-9(17)5-15(2)10(18)4-3-8(6-16)12(15)13(11)20-14(7)19/h6-13,17-18H,3-5H2,1-2H3/t7-,8+,9-,10+,11+,12+,13-,15-/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@@H](C=O)CC[C@H]1O,C15H22O5,pos_1_1proton1ethylamine,282.146723804,PJGXBSCTZLDUJY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
1879,4829,-1,,,,0.7872611,ISDB,JSKJPUCKVIJTKI-UHFFFAOYSA-N,"InChI=1S/C22H43O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h7-8,20-21,23-25H,2-6,9-19H2,1H3,(H,27,28)",CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO,C22H43O9P,,482.2644695859999,JSKJPUCKVIJTKI,Fatty acids,Glycerophospholipids,Glycerophosphoglycerols,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,0,7.149044513702393
1880,4827,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6840958,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,11.236383199691772
1881,4827,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6840958,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cirsium carolinianum,3894747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium carolinianum'],7,3,11.236383199691772
1882,4827,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6840958,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,11.236383199691772
1883,4827,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6840958,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,11.236383199691772
1884,4827,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6840958,ISDB,NETSQGRTUNRXEO-UHFFFAOYSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2",C=C1C(=O)OC2C1CCC(=C)C1CCC(=C)C12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,11.236383199691772
1885,4827,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6840958,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,11.236383199691772
1886,4827,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6840958,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,11.236383199691772
1887,4826,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.23228088,ISDB,QWVOGENNJWSIPL-JWMJNCAXSA-N,"InChI=1S/C26H29NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23-,25+,26+/m1/s1",CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CCC(=O)[C@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1,C26H29NO5,,435.204573028,QWVOGENNJWSIPL,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Aspergillus,550772.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Unknown'],1,3,3.4291235208511353
1888,4826,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.23228088,ISDB,QWVOGENNJWSIPL-KRLQRQCXSA-N,"InChI=1S/C26H29NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,23+,25+,26-/m0/s1",CO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CCC(=O)[C@@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1,C26H29NO5,,435.204573028,QWVOGENNJWSIPL,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Aspergillus nidulans,117339.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus nidulans'],1,3,3.4291235208511353
1889,4825,-1,,,,0.0,MS1_match,QXKAIJAYHKCRRA-BXXZVTAOSA-N,"InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4-/m1/s1",O=C(O)[C@H](O)[C@H](O)[C@H](O)CO,C5H10O6,pos_1_1proton1acetonitrile,166.04773804,QXKAIJAYHKCRRA,Carbohydrates,Saccharides,Monosaccharides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
1890,4822,228,Amino acids and Peptides,Small peptides,Aminoacids,0.80454284,ISDB,OUYCCCASQSFEME-UHFFFAOYSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",NC(Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,8.71817135810852
1891,4822,228,Amino acids and Peptides,Small peptides,Aminoacids,0.80454284,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Periplaneta americana,48288.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Blattodea'],['Blattidae'],['Unknown'],['Dictyoptera'],['Periplaneta americana'],4,3,8.71817135810852
1892,4822,228,Amino acids and Peptides,Small peptides,Aminoacids,0.80454284,ISDB,OUYCCCASQSFEME-MRVPVSSYSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1",N[C@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,3,8.71817135810852
1893,4821,76,Terpenoids,Naphthalenes,Isoindole alkaloids,0.0,MS1_match,ICZVDXDXJQCDOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)",COc1c(C)c(O)cc2c1CNC2=O,C10H11NO3,pos_2MH,193.073893212,ICZVDXDXJQCDOJ,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Althaea armeniaca,447106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea armeniaca'],6,3,7.5
1894,4821,76,Terpenoids,Naphthalenes,Isoindole alkaloids,0.0,MS1_match,ICZVDXDXJQCDOJ-UHFFFAOYSA-N,"InChI=1S/C10H11NO3/c1-5-8(12)3-6-7(9(5)14-2)4-11-10(6)13/h3,12H,4H2,1-2H3,(H,11,13)",COc1c(C)c(O)cc2c1CNC2=O,C10H11NO3,pos_2MH,193.073893212,ICZVDXDXJQCDOJ,Alkaloids,Pseudoalkaloids,Isoindole alkaloids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],6,3,7.5
1895,4817,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.3541578,ISDB,HMVVLENFARUUJW-YHMJZVADSA-N,"InChI=1S/C10H15NO3/c1-7(13)14-9-3-5-11-4-2-8(6-12)10(9)11/h2,9-10,12H,3-6H2,1H3/t9-,10?/m1/s1",CC(=O)O[C@@H]1CCN2CC=C(CO)C12,C10H15NO3,,197.10519334,HMVVLENFARUUJW,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Onosma arenaria,454219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Onosma'],['Onosma arenaria'],3,0,4.41663122177124
1896,4816,946,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.57826984,ISDB,DRMIXJGFDXRPMS-INIZCTEOSA-N,"InChI=1S/C16H20O3/c1-9(2)11-6-12-10(3)15(18)14(19-5)8-16(12,4)7-13(11)17/h6,8-9H,7H2,1-5H3/t16-/m0/s1",COC1=C[C@]2(C)CC(=O)C(C(C)C)=CC2=C(C)C1=O,C16H20O3,,260.1412445,DRMIXJGFDXRPMS,Terpenoids,Diterpenoids,,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],4,2,7.313079357147217
1897,4813,-1,,,,0.0,MS1_match,RCNVBRCNVUOFOJ-AOKPBJSLSA-N,"InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3/b11-10+/t18-,19-,20-,23+,24+/m0/s1",CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@@H](O)C[C@@H]1OO,C24H32O5,pos_2MMg,400.224974124,RCNVBRCNVUOFOJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Ambrosia artemisioides,7051542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Ambrosia'],['Ambrosia artemisioides'],6,0,6.0
1898,4813,-1,,,,0.0,MS1_match,YUURXLYREVDXOP-JCDVWMPLSA-N,"InChI=1S/C24H32O5/c1-16-7-6-14-24(4,5)22(28-18(3)25)15-17(2)21(13-8-16)29-23(27)19-9-11-20(26)12-10-19/h8-12,15,21-22,26H,6-7,13-14H2,1-5H3/b16-8+,17-15+/t21?,22-/m1/s1",CC(=O)O[C@@H]1/C=C(\C)C(OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C,C24H32O5,pos_2MMg,400.224974124,YUURXLYREVDXOP,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Inula,864170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Unknown'],6,0,6.0
1899,4813,-1,,,,0.0,MS1_match,ODEFNWBWMLVGDO-KZBKPBPSSA-N,"InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,22-23,25,27H,3,12-14H2,1-2,4H3/b11-10+/t18-,19+,20+,22+,23+,24-/m0/s1",C=C1[C@@H]2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@@]2(C)[C@H](O)C[C@H]1OO,C24H32O5,pos_2MMg,400.224974124,ODEFNWBWMLVGDO,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina lanata,7605850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina lanata'],6,0,6.0
1900,4813,-1,,,,0.0,MS1_match,QFWCWMZSCXWBAK-GYHDCNHNSA-N,"InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1",CC(C)[C@H]1[C@@H](O)[C@H]2O[C@@]2(C)CC[C@@H]2O[C@]2(C)C[C@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,pos_2MMg,400.224974124,QFWCWMZSCXWBAK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],6,0,6.0
1901,4813,-1,,,,0.0,MS1_match,YZUPVNWKUPXHAT-UHFFFAOYSA-N,"InChI=1S/C24H32O5/c1-7-14(3)22(25)28-19-10-9-17-11-20-18(16(5)13-27-20)12-24(17,6)21(19)29-23(26)15(4)8-2/h7-8,13,17,19,21H,9-12H2,1-6H3",CC=C(C)C(=O)OC1CCC2Cc3occ(C)c3CC2(C)C1OC(=O)C(C)=CC,C24H32O5,pos_2MMg,400.224974124,YZUPVNWKUPXHAT,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna parviflora,812743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Othonna parviflora'],6,0,6.0
1902,4813,-1,,,,0.0,MS1_match,YZUPVNWKUPXHAT-CNGNAUNWSA-N,"InChI=1S/C24H32O5/c1-7-14(3)22(25)28-19-10-9-17-11-20-18(16(5)13-27-20)12-24(17,6)21(19)29-23(26)15(4)8-2/h7-8,13,17,19,21H,9-12H2,1-6H3/b14-7+,15-8+/t17-,19-,21-,24-/m0/s1",C/C=C(\C)C(=O)O[C@H]1CC[C@H]2Cc3occ(C)c3C[C@]2(C)[C@H]1OC(=O)/C(C)=C/C,C24H32O5,pos_2MMg,400.224974124,YZUPVNWKUPXHAT,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna filicaulis,7607894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Othonna filicaulis'],6,0,6.0
1903,4813,-1,,,,0.0,MS1_match,YICWDSWOFGXBBN-PNULUVANSA-N,"InChI=1S/C24H32O5/c1-14(2)21(25)29-19-11-16-17(24(5)9-6-8-23(3,4)20(19)24)12-18(28-22(16)26)15-7-10-27-13-15/h7,10-11,13-14,17-20H,6,8-9,12H2,1-5H3/t17-,18+,19-,20-,24+/m0/s1",CC(C)C(=O)O[C@H]1C=C2C(=O)O[C@@H](c3ccoc3)C[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12,C24H32O5,pos_2MMg,400.224974124,YICWDSWOFGXBBN,Terpenoids,Diterpenoids,,Gutierrezia espinosae,7599133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia espinosae'],6,0,6.0
1904,4813,-1,,,,0.0,MS1_match,KOEMDAUUEQWERD-UHFFFAOYSA-N,"InChI=1S/C24H32O5/c1-17(2)24(29-27)15-14-22(3)19(16-24)23(4,13-12-20(22)25)28-21(26)11-10-18-8-6-5-7-9-18/h5-11,14-15,17,19-20,25,27H,12-13,16H2,1-4H3",CC(C)C1(OO)C=CC2(C)C(O)CCC(C)(OC(=O)C=Cc3ccccc3)C2C1,C24H32O5,pos_2MMg,400.224974124,KOEMDAUUEQWERD,Terpenoids,,,Brintonia discoidea,333612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Brintonia'],['Brintonia discoidea'],6,0,6.0
1905,4813,-1,,,,0.0,MS1_match,WNANPKYNOALKIV-XARGLDOUSA-N,"InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3/t18-,19+,20+,23-,24+/m0/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@](C)(O)CC[C@@H]12,C24H32O5,pos_2MMg,400.224974124,WNANPKYNOALKIV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Dolichorrhiza persica,372297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Dolichorrhiza'],['Dolichorrhiza persica'],6,0,6.0
1906,4813,-1,,,,0.0,MS1_match,UEZQKXQUGANOKW-NISYGCICSA-N,"InChI=1S/C24H32O5/c1-14(2)18-11-12-24(5)20(15(3)13-19(22(24)26)28-16(4)25)21(18)29-23(27)17-9-7-6-8-10-17/h6-10,14,18-22,26H,3,11-13H2,1-2,4-5H3/t18-,19-,20+,21-,22+,24+/m1/s1",C=C1C[C@@H](OC(C)=O)[C@H](O)[C@@]2(C)CC[C@H](C(C)C)[C@@H](OC(=O)c3ccccc3)[C@H]12,C24H32O5,pos_2MMg,400.224974124,UEZQKXQUGANOKW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Iva annua,3899868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Iva'],['Iva annua'],6,0,6.0
1907,4813,-1,,,,0.0,MS1_match,IUDDWQSXVRXZGC-URNAHTMWSA-N,"InChI=1S/C24H32O5/c1-16(2)18-12-14-23(3)19(25)13-15-24(4,29-27)22(23)21(18)28-20(26)11-10-17-8-6-5-7-9-17/h5-11,13,15-16,18-19,21-22,25,27H,12,14H2,1-4H3/b11-10+/t18-,19-,21+,22-,23+,24+/m0/s1",CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)C=C[C@@](C)(OO)[C@H]2[C@@H]1OC(=O)/C=C/c1ccccc1,C24H32O5,pos_2MMg,400.224974124,IUDDWQSXVRXZGC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Ambrosia artemisioides,7051542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Ambrosia'],['Ambrosia artemisioides'],6,0,6.0
1908,4813,-1,,,,0.0,MS1_match,RCNVBRCNVUOFOJ-WPXXHNCHSA-N,"InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3/b11-10+/t18-,19+,20+,23+,24-/m0/s1",CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@@]2(C)[C@H](O)C[C@H]1OO,C24H32O5,pos_2MMg,400.2249741239999,RCNVBRCNVUOFOJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina lanata,7605850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina lanata'],6,0,6.0
1909,4813,-1,,,,0.0,MS1_match,RCNVBRCNVUOFOJ-UHFFFAOYSA-N,"InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3",CC1=C2C(OC(=O)C=Cc3ccccc3)C(C(C)C)CCC2(C)C(O)CC1OO,C24H32O5,pos_2MMg,400.224974124,RCNVBRCNVUOFOJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Brintonia discoidea,333612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Brintonia'],['Brintonia discoidea'],6,0,6.0
1910,4813,-1,,,,0.0,MS1_match,RCNVBRCNVUOFOJ-AOKPBJSLSA-N,"InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3/b11-10+/t18-,19-,20-,23+,24+/m0/s1",CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@@H](O)C[C@@H]1OO,C24H32O5,pos_2MMg,400.224974124,RCNVBRCNVUOFOJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Ambrosia artemisioides,7051542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Ambrosia'],['Ambrosia artemisioides'],6,0,6.0
1911,4813,-1,,,,0.0,MS1_match,RCNVBRCNVUOFOJ-WPXXHNCHSA-N,"InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3/b11-10+/t18-,19+,20+,23+,24-/m0/s1",CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@@]2(C)[C@H](O)C[C@H]1OO,C24H32O5,pos_2MMg,400.2249741239999,RCNVBRCNVUOFOJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina lanata,7605850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina lanata'],6,0,6.0
1912,4813,-1,,,,0.0,MS1_match,RCNVBRCNVUOFOJ-UHFFFAOYSA-N,"InChI=1S/C24H32O5/c1-15(2)18-12-13-24(4)20(25)14-19(29-27)16(3)22(24)23(18)28-21(26)11-10-17-8-6-5-7-9-17/h5-11,15,18-20,23,25,27H,12-14H2,1-4H3",CC1=C2C(OC(=O)C=Cc3ccccc3)C(C(C)C)CCC2(C)C(O)CC1OO,C24H32O5,pos_2MMg,400.224974124,RCNVBRCNVUOFOJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Brintonia discoidea,333612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Brintonia'],['Brintonia discoidea'],6,0,6.0
1913,4813,-1,,,,0.0,MS1_match,YUURXLYREVDXOP-JCDVWMPLSA-N,"InChI=1S/C24H32O5/c1-16-7-6-14-24(4,5)22(28-18(3)25)15-17(2)21(13-8-16)29-23(27)19-9-11-20(26)12-10-19/h8-12,15,21-22,26H,6-7,13-14H2,1-5H3/b16-8+,17-15+/t21?,22-/m1/s1",CC(=O)O[C@@H]1/C=C(\C)C(OC(=O)c2ccc(O)cc2)C/C=C(\C)CCCC1(C)C,C24H32O5,pos_2MMg,400.224974124,YUURXLYREVDXOP,Terpenoids,Sesquiterpenoids,Humulane sesquiterpenoids,Inula,864170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Unknown'],6,0,6.0
1914,4813,-1,,,,0.0,MS1_match,OQKHZRSIRIZAAU-JXLVSMLBSA-N,"InChI=1S/C24H32O5/c1-5-7-18(26)29-20-14(2)15-8-9-17-22(3)10-6-11-23(4,21(27)28)19(22)16(25)13-24(17,20)12-15/h5,15,17,19-20H,1-2,6-13H2,3-4H3,(H,27,28)/t15-,17-,19-,20+,22-,23+,24-/m0/s1",C=CCC(=O)O[C@@H]1C(=C)[C@H]2CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4C(=O)C[C@]13C2,C24H32O5,pos_2MMg,400.224974124,OQKHZRSIRIZAAU,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Blepharispermum hirtum,7051224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Athroismeae'],['Blepharispermum'],['Blepharispermum hirtum'],6,0,6.0
1915,4812,-1,,,,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
1916,4812,-1,,,,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
1917,4811,467,Terpenoids,Monoterpenoids,Atisane diterpenoids,0.24371065,ISDB,ABIFCFYADLKZLB-RSHNMJPRSA-N,"InChI=1S/C8H13NO3/c1-2-3-4-8(11)6-5(12-6)7(10)9-8/h5-6,11H,2-4H2,1H3,(H,9,10)/t5-,6+,8?/m1/s1",CCCCC1(O)NC(=O)[C@@H]2O[C@@H]21,C8H13NO3,,171.089543276,ABIFCFYADLKZLB,Alkaloids,,,Ganoderma lucidum,60045.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Ganoderma lucidum'],1,0,1.974842607975006
1918,4809,561,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.48711112,ISDB,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.948444485664368
1919,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
1920,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,3,7.5
1921,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,3,7.5
1922,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,3,7.5
1923,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
1924,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,7.5
1925,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,3,7.5
1926,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,3,7.5
1927,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,3,7.5
1928,4802,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
1929,4801,-1,,,,0.41829428,ISDB,JPWFNNHZPMNWHM-QWFABFIESA-N,"InChI=1S/C25H38O/c1-17(16-26)7-5-8-18(2)22-13-11-20(4)23-14-12-21-10-6-9-19(3)24(15-21)25(22)23/h7,10,18,22,24-26H,3,5-6,8-9,11-16H2,1-2,4H3/b17-7+/t18-,22-,24+,25-/m0/s1",C=C1CCC=C2CCC3=C(C)CC[C@@H]([C@@H](C)CC/C=C(\C)CO)[C@@H]3[C@@H]1C2,C25H38O,,354.292265836,JPWFNNHZPMNWHM,Terpenoids,Diterpenoids,Pachydictyane diterpenoids,Ceroplastes rubens,178844.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Coccidae'],['Unknown'],['Ceroplastes'],['Ceroplastes rubens'],1,0,2.673177123069763
1930,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_1_1proton,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
1931,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PSPNLLGVLZZTCG-FIYSKUEASA-N,"InChI=1S/C38H40N2O8/c1-39-11-9-37-18-31(46-5)26(41)15-22(37)24(39)13-20-7-8-28(44-3)36(33(20)37)48-29-17-30(45-4)35(43)34-21(29)14-25-23-16-27(42)32(47-6)19-38(23,34)10-12-40(25)2/h7-8,15-19,24-25,43H,9-14H2,1-6H3/t24-,25+,37+,38-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(Oc5cc(OC)c(O)c6c5C[C@@H]5C7=CC(=O)C(OC)=C[C@@]76CCN5C)c42)C3=CC1=O,C38H40N2O8,pos_2_1proton1sodium,652.27846624,PSPNLLGVLZZTCG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,3,7.5
1932,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PSPNLLGVLZZTCG-FIYSKUEASA-N,"InChI=1S/C38H40N2O8/c1-39-11-9-37-18-31(46-5)26(41)15-22(37)24(39)13-20-7-8-28(44-3)36(33(20)37)48-29-17-30(45-4)35(43)34-21(29)14-25-23-16-27(42)32(47-6)19-38(23,34)10-12-40(25)2/h7-8,15-19,24-25,43H,9-14H2,1-6H3/t24-,25+,37+,38-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(Oc5cc(OC)c(O)c6c5C[C@@H]5C7=CC(=O)C(OC)=C[C@@]76CCN5C)c42)C3=CC1=O,C38H40N2O8,pos_2_1proton1sodium,652.27846624,PSPNLLGVLZZTCG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lasiothrix,6130825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lasiothrix'],6,3,7.5
1933,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PSPNLLGVLZZTCG-FIYSKUEASA-N,"InChI=1S/C38H40N2O8/c1-39-11-9-37-18-31(46-5)26(41)15-22(37)24(39)13-20-7-8-28(44-3)36(33(20)37)48-29-17-30(45-4)35(43)34-21(29)14-25-23-16-27(42)32(47-6)19-38(23,34)10-12-40(25)2/h7-8,15-19,24-25,43H,9-14H2,1-6H3/t24-,25+,37+,38-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(Oc5cc(OC)c(O)c6c5C[C@@H]5C7=CC(=O)C(OC)=C[C@@]76CCN5C)c42)C3=CC1=O,C38H40N2O8,pos_2_1proton1sodium,652.27846624,PSPNLLGVLZZTCG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setiferum,237513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pseudo-orientale'],6,3,7.5
1934,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,FZAGOOYMTPGPGF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO4,pos_1_1proton,337.131408088,FZAGOOYMTPGPGF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
1935,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa,5727953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],6,3,7.5
1936,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,3,7.5
1937,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-WYRIXSBYSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m1/s1",C[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
1938,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-JEOXALJRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.13140808799994,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
1939,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PSPNLLGVLZZTCG-FIYSKUEASA-N,"InChI=1S/C38H40N2O8/c1-39-11-9-37-18-31(46-5)26(41)15-22(37)24(39)13-20-7-8-28(44-3)36(33(20)37)48-29-17-30(45-4)35(43)34-21(29)14-25-23-16-27(42)32(47-6)19-38(23,34)10-12-40(25)2/h7-8,15-19,24-25,43H,9-14H2,1-6H3/t24-,25+,37+,38-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(Oc5cc(OC)c(O)c6c5C[C@@H]5C7=CC(=O)C(OC)=C[C@@]76CCN5C)c42)C3=CC1=O,C38H40N2O8,pos_2_1proton1sodium,652.27846624,PSPNLLGVLZZTCG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,3,7.5
1940,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa,5727953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],6,3,7.5
1941,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-WYRIXSBYSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m1/s1",C[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
1942,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-JEOXALJRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.13140808799994,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
1943,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_1_1proton,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,3,7.5
1944,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_1_1proton,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
1945,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_1_1proton,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,3,7.5
1946,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_1_1proton,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,3,7.5
1947,4800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PSPNLLGVLZZTCG-FIYSKUEASA-N,"InChI=1S/C38H40N2O8/c1-39-11-9-37-18-31(46-5)26(41)15-22(37)24(39)13-20-7-8-28(44-3)36(33(20)37)48-29-17-30(45-4)35(43)34-21(29)14-25-23-16-27(42)32(47-6)19-38(23,34)10-12-40(25)2/h7-8,15-19,24-25,43H,9-14H2,1-6H3/t24-,25+,37+,38-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4ccc(OC)c(Oc5cc(OC)c(O)c6c5C[C@@H]5C7=CC(=O)C(OC)=C[C@@]76CCN5C)c42)C3=CC1=O,C38H40N2O8,pos_2_1proton1sodium,652.27846624,PSPNLLGVLZZTCG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pseudo-orientale,237513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pseudo-orientale'],6,3,7.5
1948,4799,-1,,,,0.0,MS1_match,VUXSSPWGZUSSHC-VRGMZJBZSA-N,"InChI=1S/C44H76O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(45)46-37-26-28-42(7)35(40(37,4)5)25-29-44(9)36(42)23-22-34-39-33(32(2)3)24-27-41(39,6)30-31-43(34,44)8/h33-37,39H,2,10-31H2,1,3-9H3/t33-,34+,35-,36+,37-,39+,41+,42-,43+,44+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C44H76O2,pos_1_minus1proton1iron,636.584531672,VUXSSPWGZUSSHC,Terpenoids,Triterpenoids,Lupane triterpenoids,Koelpinia linearis,1016037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Koelpinia'],['Koelpinia linearis'],6,0,6.0
1949,4798,641,Fatty acids,Fatty amides,Pregnane steroids,0.5285259,ISDB,SJZSLZDOZDKKND-UHFFFAOYSA-N,"InChI=1S/C23H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)23(26)24-20-21-25/h15-16,19,25H,3-14,17-18,20-21H2,1-2H3,(H,24,26)",CCCCCCCCCCCCCC=CCCC=C(C)C(=O)NCCO,C23H43NO2,,365.329379616,SJZSLZDOZDKKND,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Lyngbya semiplena,648244.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya semiplena'],0,2,3.1141035556793213
1950,4797,-1,,,,0.27335423,ISDB,APGVHKPCMRXAPJ-UHFFFAOYSA-N,"InChI=1S/C39H60O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-38(40)43-29-23-26-35-31-36(41-5)39(37(32-35)42-6)44-30-28-34(4)25-22-24-33(2)3/h11-12,14-15,23-24,26,28,31-32H,7-10,13,16-22,25,27,29-30H2,1-6H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC=Cc1cc(OC)c(OCC=C(C)CCC=C(C)C)c(OC)c1,C39H60O5,,608.44407502,APGVHKPCMRXAPJ,,,,Ligularia nelumbifolia,896803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nelumbifolia'],4,0,5.093416929244995
1951,4796,-1,,,,0.0,MS1_match,SRRUXSRMDOJDBH-XJGCVPKSSA-N,"InChI=1S/C32H38O19/c33-7-17-22(39)25(42)28(45)31(49-17)51-30-27(44)23(40)18(8-34)50-32(30)48-16-6-15-19(12(36)5-14(47-15)10-1-3-11(35)4-2-10)24(41)20(16)29-26(43)21(38)13(37)9-46-29/h1-6,13,17-18,21-23,25-35,37-45H,7-9H2/t13-,17+,18+,21-,22+,23+,25-,26+,27-,28+,29-,30+,31-,32+/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C32H38O19,pos_1_1proton,726.200728996,SRRUXSRMDOJDBH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
1952,4796,-1,,,,0.0,MS1_match,UFCRDXSCWLVMMU-DFEVXSSSSA-N,"InChI=1S/C32H38O19/c33-7-16-21(38)25(42)27(44)29(47-16)20-15(6-14-19(24(20)41)12(37)5-13(46-14)10-1-3-11(36)4-2-10)48-32-30(26(43)22(39)17(8-34)50-32)51-31-28(45)23(40)18(9-35)49-31/h1-6,16-18,21-23,25-36,38-45H,7-9H2/t16-,17-,18-,21-,22-,23-,25+,26+,27-,28+,29-,30-,31-,32-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C32H38O19,pos_1_1proton,726.200728996,UFCRDXSCWLVMMU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
1953,4795,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1954,4795,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1955,4793,-1,,,,0.0,MS1_match,LVWCGFQTAFKQBI-DWBQKEMDSA-N,"InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1",CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C,C30H42O6,pos_1_1proton1ethylamine,498.298139064,LVWCGFQTAFKQBI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
1956,4792,-1,,,,0.0,MS1_match,OSOVVCPVEQJCEH-SBSLZYLESA-N,"InChI=1S/C19H32O9/c1-9(21)5-6-19-17(2,3)7-10(15(25)18(19,4)28-19)26-16-14(24)13(23)12(22)11(8-20)27-16/h5-6,9-16,20-25H,7-8H2,1-4H3/b6-5+/t9-,10-,11+,12+,13-,14+,15-,16+,18-,19+/m0/s1",C[C@H](O)/C=C/[C@]12O[C@@]1(C)[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C,C19H32O9,pos_1_minus1proton2sodium,404.204632604,OSOVVCPVEQJCEH,Terpenoids,Apocarotenoids,Megastigmanes,Cardamine komarovii,3932710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Cardamine'],['Cardamine komarovii'],6,0,6.0
1957,4791,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.59033823,ISDB,BULCNSNGNSSTBP-UHFFFAOYSA-N,"InChI=1S/C12H23NOS2/c1-16(14)11-9-7-5-3-2-4-6-8-10-13-12-15/h2-11H2,1H3",C[S+]([O-])CCCCCCCCCCN=C=S,C12H23NOS2,,261.122106356,BULCNSNGNSSTBP,,,,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],6,0,8.361352920532227
1958,4789,812,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBRLOUHOWLUMFF-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3",COc1ccc2ccc(=O)oc2c1CC=C(C)C,C15H16O3,pos_1_1proton1ammonium,244.109944372,MBRLOUHOWLUMFF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,1,7.5
1959,4789,812,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AOZKTJDXDYSFAE-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-15(2)9-8-12-10-11(4-6-13(12)18-15)5-7-14(16)17-3/h4-10H,1-3H3",COC(=O)C=Cc1ccc2c(c1)C=CC(C)(C)O2,C15H16O3,pos_1_1proton1ammonium,244.109944372,AOZKTJDXDYSFAE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis linearis,7600010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis linearis'],6,3,7.5
1960,4789,812,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AOZKTJDXDYSFAE-UHFFFAOYSA-N,"InChI=1S/C15H16O3/c1-15(2)9-8-12-10-11(4-6-13(12)18-15)5-7-14(16)17-3/h4-10H,1-3H3",COC(=O)C=Cc1ccc2c(c1)C=CC(C)(C)O2,C15H16O3,pos_1_1proton1ammonium,244.109944372,AOZKTJDXDYSFAE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Werneria nubigena,63655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Werneria'],['Werneria nubigena'],6,3,7.5
1961,4789,812,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JPWMMPGBDKWYPX-UHFFFAOYSA-N,"InChI=1S/C13H16O3/c1-4-10-9-12(15-2)7-5-11(10)6-8-13(14)16-3/h4-5,7,9H,1,6,8H2,2-3H3",C=Cc1cc(OC)ccc1CCC(=O)OC,C13H16O3,pos_1_1proton1acetonitrile,220.109944372,JPWMMPGBDKWYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gutierrezia solbrigii,7599156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia solbrigii'],6,3,7.5
1962,4789,812,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BRGBDGARGSNVOD-WRSFFWLLSA-N,"InChI=1S/C13H16O3/c1-10(14)11(2)16-13(15)9-8-12-6-4-3-5-7-12/h3-11,14H,1-2H3/b9-8+/t10-,11-/m0/s1",C[C@H](O)[C@H](C)OC(=O)/C=C/c1ccccc1,C13H16O3,pos_1_1proton1acetonitrile,220.109944372,BRGBDGARGSNVOD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Blepharizonia plumosa,1042864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Blepharizonia'],['Blepharizonia plumosa'],6,3,7.5
1963,4788,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MH,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Herniaria,300032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Unknown'],6,3,7.5
1964,4788,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MH,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Paronychia kapela,725531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Paronychia'],['Paronychia kapela'],6,3,7.5
1965,4788,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MH,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dianthus caryophyllus,842200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus caryophyllus'],6,3,7.5
1966,4787,680,Terpenoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_2MFe,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Agrostemma githago,689981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma githago'],6,1,6.5
1967,4787,680,Terpenoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_2MFe,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Silene armeria,637564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene armeria'],6,1,6.5
1968,4787,680,Terpenoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_2MFe,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Agrostemma githago,689981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma githago'],6,1,6.5
1969,4787,680,Terpenoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CZEMYYICWZPENF-VOLTXKGXSA-N,"InChI=1S/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,17-,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H28O5,pos_2MFe,348.1936739959999,CZEMYYICWZPENF,Terpenoids,Diterpenoids,Gibberellins,Silene armeria,637564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene armeria'],6,1,6.5
1970,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
1971,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
1972,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
1973,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,3,8.5
1974,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
1975,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
1976,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
1977,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1ethylamine,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
1978,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1proton1ammonium,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
1979,4785,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
1980,4784,464,Terpenoids,Steroids,Ergostane steroids,0.4234823,ISDB,RDBOKLTXJDYSFQ-ABMOCFRJSA-N,"InChI=1S/C27H40/c1-18(2)9-8-10-19(3)25-13-14-26-24-17-21-11-6-7-12-22(21)20(4)23(24)15-16-27(25,26)5/h6,11,17-19,25-26H,7-10,12-16H2,1-5H3/t19-,25-,26+,27-/m1/s1",Cc1c2c(cc3c1CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]31)C=CCC2,C27H40,,364.31300128,RDBOKLTXJDYSFQ,Terpenoids,Steroids,Ergostane steroids,Ixodes ricinus,493144.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Ixodida'],['Ixodidae'],['Unknown'],['Ixodes'],['Ixodes ricinus'],2,3,5.193929195404053
1981,4783,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.55566126,ISDB,JMNXFZCXVGEDAC-NRUKRLKBSA-N,"InChI=1S/C27H54NO7P/c1-5-6-7-13-16-24-21-25(24)17-14-11-9-8-10-12-15-18-27(30)33-22-26(29)23-35-36(31,32)34-20-19-28(2,3)4/h24-26,29H,5-23H2,1-4H3/t24?,25?,26-/m1/s1",CCCCCCC1CC1CCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C27H54NO7P,,535.363789698,JMNXFZCXVGEDAC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,3.7226450443267822
1982,4782,1257,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WMWULFWRZYXSIW-DMTCNVIQSA-N,"InChI=1S/C5H8O3/c1-3-4(6)2-8-5(3)7/h3-4,6H,2H2,1H3/t3-,4+/m1/s1",C[C@H]1C(=O)OC[C@@H]1O,C5H8O3,pos_1_1sodium1acetonitrile,116.047344116,WMWULFWRZYXSIW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,3,8.5
1983,4780,776,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.819948,ISDB,ZVIGMBOEDUKCMK-SFNBMPIDSA-N,"InChI=1S/C15H20O2/c1-10-4-7-15-12(17)5-6-14(10,15)11(9-16)8-13(15,2)3/h8-10H,4-7H2,1-3H3/t10-,14?,15?/m1/s1",C[C@@H]1CCC23C(=O)CCC12C(C=O)=CC3(C)C,C15H20O2,,232.14632988,ZVIGMBOEDUKCMK,Terpenoids,Sesquiterpenoids,Chamigrane sesquiterpenoids,Pulicaria paludosa,238454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria paludosa'],4,2,8.279792070388794
1984,4775,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,SZHOJFHSIKHZHA-UHFFFAOYSA-N,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",CCCCCCCCCCCCC(=O)O,C13H26O2,pos_2_2sodium,214.193280072,SZHOJFHSIKHZHA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Festuca arundinacea,105576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca arundinacea'],6,0,6.0
1985,4775,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,SZHOJFHSIKHZHA-UHFFFAOYSA-N,"InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)",CCCCCCCCCCCCC(=O)O,C13H26O2,pos_2_2sodium,214.193280072,SZHOJFHSIKHZHA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Festuca rubra,202297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca rubra'],6,0,6.0
1986,4775,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XKWSWANXMRXDES-UHFFFAOYSA-N,"InChI=1S/C13H26O2/c1-4-5-6-7-8-9-13(14)15-11-10-12(2)3/h12H,4-11H2,1-3H3",CCCCCCCC(=O)OCCC(C)C,C13H26O2,pos_2_2sodium,214.193280072,XKWSWANXMRXDES,Fatty acids,Fatty esters,Wax monoesters,Bothriochloa bladhii,761201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Bothriochloa'],['Bothriochloa bladhii'],6,0,6.0
1987,4775,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XEKOWRVHYACXOJ-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3",CCOC(C)=O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,XEKOWRVHYACXOJ,Fatty acids,Fatty esters,Wax monoesters,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
1988,4775,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,ROWKJAVDOGWPAT-UHFFFAOYSA-N,"InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3",CC(=O)C(C)O,C4H8O2,pos_1_1proton1acetonitrile,88.052429496,ROWKJAVDOGWPAT,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
1989,4774,273,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
1990,4774,273,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
1991,4771,12,Terpenoids,Diterpenoids,Labdane diterpenoids,0.51040375,ISDB,AIFIAZSRVCWZJR-PVWYTQBRSA-N,"InChI=1S/C20H32O3/c1-18(2)8-5-9-19(3)14-7-6-12-13(11-23-17(12)22)20(14,4)16(21)10-15(18)19/h12-16,21H,5-11H2,1-4H3/t12-,13-,14-,15+,16-,19-,20+/m1/s1",CC1(C)CCC[C@]2(C)[C@H]3CC[C@H]4C(=O)OC[C@H]4[C@]3(C)[C@H](O)C[C@@H]12,C20H32O3,,320.235144884,AIFIAZSRVCWZJR,Terpenoids,Diterpenoids,Spongiane diterpenoids,Goniobranchus obsoletus,2875427.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Chromodorididae'],['Unknown'],['Goniobranchus'],['Goniobranchus obsoletus'],4,2,7.041615009307861
1992,4770,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,pos_1_1proton1isopropanol,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
1993,4770,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SFXPZLCQRZASKK-FLFKKGGYSA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16+,18+,19+,20-,21+/m0/s1",CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C21H32O2,pos_1_1proton1isopropanol,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum pimpinellifolium,797186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pimpinellifolium'],8,1,8.5
1994,4770,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SFXPZLCQRZASKK-CKBUFISISA-N,"InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H32O2,pos_1_1proton1isopropanol,316.240230264,SFXPZLCQRZASKK,Terpenoids,Steroids,Pregnane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,1,8.5
1995,4768,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1996,4768,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1997,4768,-1,,,,0.0,MS1_match,UIDGLYUNOUKLBM-WJVJOWDZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-13(31)6-11(29)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22+,23+,24-,27+,28-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1sodium,624.169034944,UIDGLYUNOUKLBM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
1998,4767,-1,,,,0.0,MS1_match,FVKIBVYKSWGGPY-JEFSMQFLSA-N,"InChI=1S/C19H26O12/c20-5-9-11(22)13(24)15(26)17(29-9)7-1-3-8(4-2-7)18(28)31-19-16(27)14(25)12(23)10(6-21)30-19/h1-4,9-17,19-27H,5-6H2/t9-,10-,11-,12-,13+,14+,15-,16-,17?,19+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C19H26O12,pos_1_1proton1ammonium,446.142426272,FVKIBVYKSWGGPY,Shikimates and Phenylpropanoids,,,Moricandia arvensis,420029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Moricandia'],['Moricandia arvensis'],6,0,6.0
1999,4766,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6010034,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,3,7.904013633728027
2000,4766,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6010034,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.904013633728027
2001,4766,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6010034,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.904013633728027
2002,4764,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5065227,ISDB,OHBHGGYGWZIWCX-DEJOPHEWSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13-,15+/m1/s1",C=C1CC[C@@H]2[C@@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.526090860366821
2003,4764,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5065227,ISDB,OHBHGGYGWZIWCX-UOHBJPFUSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.526090860366821
2004,4764,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5065227,ISDB,OHBHGGYGWZIWCX-UHFFFAOYSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3",C=C1CCC2C(OC(=O)C2(O)CO)C2C1CC(O)C2C,C15H22O5,,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara,991883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Unknown'],7,3,10.526090860366821
2005,4763,471,Fatty acids,Sphingolipids,Sphingoid bases,0.6365703,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.046281099319458
2006,4763,471,Fatty acids,Sphingolipids,Sphingoid bases,0.6365703,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,8.046281099319458
2007,4763,471,Fatty acids,Sphingolipids,Sphingoid bases,0.6365703,ISDB,AERBNCYCJBRYDG-KSZLIROESA-N,"InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1",CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H39NO3,,317.292994108,AERBNCYCJBRYDG,Fatty acids,Sphingolipids,Sphingoid bases,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,3,8.046281099319458
2008,4762,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8335334,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.834133625030518
2009,4760,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2010,4760,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
2011,4760,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum laxum,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,0,8.0
2012,4760,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,0,8.0
2013,4760,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum nigrescens,3869582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrescens'],8,0,8.0
2014,4760,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum sublobatum,7631243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sublobatum'],8,0,8.0
2015,4760,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
2016,4759,-1,,,,0.50373626,ISDB,,,,,,,NHBRVTKHMMOYTG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0149450302124023
2017,4758,1254,Alkaloids,Flavonoids,Gallotannins,0.30092075,ISDB,GDNZNIJPBQATCZ-SECBINFHSA-N,"InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3/t9-/m1/s1",COc1ccc2c(c1)O[C@@H](O)C(=O)N2O,C9H9NO5,,211.048072388,GDNZNIJPBQATCZ,Alkaloids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,10.703683018684387
2018,4756,760,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,ZQSIJRDFPHDXIC-UHFFFAOYSA-N,"InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H",O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,C15H10O4,pos_1_1proton,254.0579088,ZQSIJRDFPHDXIC,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
2019,4754,-1,,,,0.59006476,ISDB,ONVABDHFQKWOSV-UHFFFAOYSA-N,"InChI=1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3",C=C1CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3,C20H32,,272.250401024,ONVABDHFQKWOSV,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Semicassis undulata,7495192.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Littorinimorpha'],['Cassidae'],['Unknown'],['Semicassis'],['Semicassis undulata'],4,0,6.360259056091309
2020,4753,1210,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6877758,ISDB,,,,,,,IHAMOIOWKITHQZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.751103162765503
2021,4752,-1,,,,0.0,MS1_match,NHYPUVOSYZUDMG-CXLRFSCWSA-N,"InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-10(16)13(21,12(19)20)6-11(17)18/h1-5,14-15,21H,6H2,(H,17,18)(H,19,20)/b4-2+/t13-/m1/s1",O=C(O)C[C@](O)(C(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1,C13H12O8,pos_1_1proton1ammonium,296.053217344,NHYPUVOSYZUDMG,Shikimates and Phenylpropanoids,,,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,0,6.0
2022,4752,-1,,,,0.0,MS1_match,NHYPUVOSYZUDMG-DUXPYHPUSA-N,"InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-10(16)13(21,12(19)20)6-11(17)18/h1-5,14-15,21H,6H2,(H,17,18)(H,19,20)/b4-2+",O=C(O)CC(O)(C(=O)O)C(=O)/C=C/c1ccc(O)c(O)c1,C13H12O8,pos_1_1proton1ammonium,296.053217344,NHYPUVOSYZUDMG,Shikimates and Phenylpropanoids,,,Pseudofumaria lutea,978868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pseudofumaria'],['Pseudofumaria lutea'],6,0,6.0
2023,4751,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.38939875,ISDB,LPOQROCPKZWCGK-CQRLEKJLSA-N,"InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)47-25-24(39)23(38)19(8-42-21(37)7-20(35)36)46-27(25)44-12-4-15(33)22-16(34)6-17(45-18(22)5-12)11-1-2-13(31)14(32)3-11/h1-6,19,23-28,30-33,38-41H,7-10H2,(H,35,36)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,C29H30O18,,666.14321412,LPOQROCPKZWCGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,7.0575950145721436
2024,4751,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.38939875,ISDB,LPOQROCPKZWCGK-UHFFFAOYSA-N,"InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)47-25-24(39)23(38)19(8-42-21(37)7-20(35)36)46-27(25)44-12-4-15(33)22-16(34)6-17(45-18(22)5-12)11-1-2-13(31)14(32)3-11/h1-6,19,23-28,30-33,38-41H,7-10H2,(H,35,36)",O=C(O)CC(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(OC2OCC(O)(CO)C2O)C(O)C1O,C29H30O18,,666.14321412,LPOQROCPKZWCGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,7.0575950145721436
2025,4750,601,Terpenoids,Steroids,Cholestane steroids,0.4463284,ISDB,AQYVTAUQOOLBQC-ITDHJIIESA-N,"InChI=1S/C27H42O2/c1-17(2)5-10-25-18(3)22-8-9-24-21-7-6-19-15-20(28)11-13-26(19,4)23(21)12-14-27(22,24)16-29-25/h6,17,20-24,28H,5,7-16H2,1-4H3/t20-,21+,22+,23-,24-,26-,27-/m0/s1",CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC=C5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13,C27H42O2,,398.318480584,AQYVTAUQOOLBQC,Terpenoids,Steroids,Cholestane steroids,Axinella bidderi,2835406.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella bidderi'],2,3,5.285313606262207
2026,4749,-1,,,,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_1_1sodium,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
2027,4749,-1,,,,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_1_1sodium,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
2028,4747,-1,,,,0.0,MS1_match,SRRUXSRMDOJDBH-XJGCVPKSSA-N,"InChI=1S/C32H38O19/c33-7-17-22(39)25(42)28(45)31(49-17)51-30-27(44)23(40)18(8-34)50-32(30)48-16-6-15-19(12(36)5-14(47-15)10-1-3-11(35)4-2-10)24(41)20(16)29-26(43)21(38)13(37)9-46-29/h1-6,13,17-18,21-23,25-35,37-45H,7-9H2/t13-,17+,18+,21-,22+,23+,25-,26+,27-,28+,29-,30+,31-,32+/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C32H38O19,pos_1_1proton,726.200728996,SRRUXSRMDOJDBH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
2029,4747,-1,,,,0.0,MS1_match,UFCRDXSCWLVMMU-DFEVXSSSSA-N,"InChI=1S/C32H38O19/c33-7-16-21(38)25(42)27(44)29(47-16)20-15(6-14-19(24(20)41)12(37)5-13(46-14)10-1-3-11(36)4-2-10)48-32-30(26(43)22(39)17(8-34)50-32)51-31-28(45)23(40)18(9-35)49-31/h1-6,16-18,21-23,25-36,38-45H,7-9H2/t16-,17-,18-,21-,22-,23-,25+,26+,27-,28+,29-,30-,31-,32-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C32H38O19,pos_1_1proton,726.200728996,UFCRDXSCWLVMMU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
2030,4744,835,,,,0.0,MS1_match,XGRYRNQISNOEGY-UHFFFAOYSA-N,"InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3",C[S+]([O-])CCCCCCCCC#N,C10H19NOS,pos_1_1proton1dmso,201.118735228,XGRYRNQISNOEGY,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2031,4743,-1,,,,0.39715853,ISDB,SZKRSYBOEULCED-UHFFFAOYSA-N,"InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,7-8H2,1-4H3",CC(=O)C#CC1=C(C)CC(O)CC1(C)C,C13H18O2,,206.130679816,SZKRSYBOEULCED,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,0,7.588634133338928
2032,4742,-1,,,,0.78039324,ISDB,DMFHLLHXYQJPJS-HNNXBMFYSA-N,"InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3/t15-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C(=O)N1CC2,C21H23NO5,,369.157622836,DMFHLLHXYQJPJS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Anamirta cocculus,505648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Coscinieae'],['Anamirta'],['Anamirta cocculus'],1,0,4.121572971343994
2033,4742,-1,,,,0.78039324,ISDB,DMFHLLHXYQJPJS-HNNXBMFYSA-N,"InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3/t15-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C(=O)N1CC2,C21H23NO5,,369.157622836,DMFHLLHXYQJPJS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Annickia polycarpa,3868097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Piptostigmateae'],['Annickia'],['Annickia polycarpa'],1,0,4.121572971343994
2034,4742,-1,,,,0.78039324,ISDB,DMFHLLHXYQJPJS-HNNXBMFYSA-N,"InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3/t15-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc(OC)c(OC)c3C(=O)N1CC2,C21H23NO5,,369.157622836,DMFHLLHXYQJPJS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pericampylus glaucus,918345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Anomospermeae'],['Pericampylus'],['Pericampylus glaucus'],1,0,4.121572971343994
2035,4742,-1,,,,0.78039324,ISDB,DMFHLLHXYQJPJS-UHFFFAOYSA-N,"InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3",COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3C(=O)N1CC2,C21H23NO5,,369.157622836,DMFHLLHXYQJPJS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pericampylus,918343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Anomospermeae'],['Pericampylus'],['Unknown'],1,0,4.121572971343994
2036,4742,-1,,,,0.78039324,ISDB,DMFHLLHXYQJPJS-UHFFFAOYSA-N,"InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3",COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3C(=O)N1CC2,C21H23NO5,,369.157622836,DMFHLLHXYQJPJS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Anamirta,338335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Coscinieae'],['Anamirta'],['Unknown'],1,0,4.121572971343994
2037,4741,-1,,,,0.0,MS1_match,YNXBNICISLIKLI-NMHHAJKESA-N,"InChI=1S/C56H94O30/c1-8-56(7,86-55-49(85-54-44(72)39(67)35(63)29(19-58)80-54)46(74)47(30(20-59)81-55)83-53-43(71)38(66)34(62)28(18-57)79-53)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-75-51-45(73)40(68)48(84-52-42(70)37(65)33(61)27(6)78-52)31(82-51)22-76-50-41(69)36(64)32(60)26(5)77-50/h8,12,15-16,26-55,57-74H,1,9-11,13-14,17-22H2,2-7H3/b23-12+,24-16+,25-15-/t26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45+,46-,47+,48+,49+,50+,51+,52-,53-,54-,55-,56+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C56H94O30,pos_2_1proton1potassium,1246.582991608,YNXBNICISLIKLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
2038,4737,152,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,BWBBFQXPSPCQPX-UHFFFAOYSA-N,"InChI=1S/C15H24O/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h5,7,9,11,14-16H,4,6,8,10H2,1-3H3",C=C1C=CC(C(C)C)CC=C(C)CCC1O,C15H24O,pos_1_1proton1methanol,220.182715388,BWBBFQXPSPCQPX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
2039,4737,152,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton1methanol,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
2040,4736,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.27375484,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,3,8.595019340515137
2041,4736,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.27375484,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pseudofumaria lutea,978868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pseudofumaria'],['Pseudofumaria lutea'],6,3,8.595019340515137
2042,4736,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.27375484,ISDB,JQOTXJRWMCMWBT-UFYCRDLUSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis flabellata,6130375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis flabellata'],6,3,8.595019340515137
2043,4736,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.27375484,ISDB,JQOTXJRWMCMWBT-SLFFLAALSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3/t18-,19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12[C@@H](O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],6,3,8.595019340515137
2044,4736,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.27375484,ISDB,JQOTXJRWMCMWBT-UHFFFAOYSA-N,"InChI=1S/C20H19NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,18-19,22-23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(O)c1ccc4c(c1C2O)OCO4)OCO3,C20H19NO6,,369.121237328,JQOTXJRWMCMWBT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,8.595019340515137
2045,4733,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MNQQDRMNWCFBMZ-NMPXUDJTSA-N,"InChI=1S/C32H38O20/c33-7-16-20(38)23(41)26(44)31(50-16)48-12-5-13(35)18-15(6-12)49-28(10-1-3-11(34)4-2-10)29(22(18)40)52-32-27(45)24(42)21(39)17(51-32)9-47-30-25(43)19(37)14(36)8-46-30/h1-6,14,16-17,19-21,23-27,30-39,41-45H,7-9H2/t14-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,30-,31+,32-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C32H38O20,pos_2_1proton1sodium,742.195643616,MNQQDRMNWCFBMZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,1,6.5
2046,4731,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6867451,ISDB,CQBUTECROSOOEZ-ATWMFIQVSA-N,"InChI=1S/C15H19NO/c1-16-11-5-8-14(16)12-15(17)10-9-13-6-3-2-4-7-13/h2-4,6-7,9-10,14H,5,8,11-12H2,1H3/b10-9+/t14-/m1/s1",CN1CCC[C@@H]1CC(=O)/C=C/c1ccccc1,C15H19NO,,229.146664228,CQBUTECROSOOEZ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Darlingia darlingiana,414374.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Darlingia'],['Darlingia darlingiana'],4,3,8.246980428695679
2047,4726,-1,,,,0.23036475,ISDB,OEMFBCQMOLVLCR-YYLQXJDASA-N,"InChI=1S/C32H48O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9-10,19-20,24-26H,11-18H2,1-8H3,(H,34,35)/t19-,20+,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1",CC(=O)O[C@@H]1CC[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@]1(C)C(=O)O,C32H48O4,,496.355260016,OEMFBCQMOLVLCR,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Boswellia serrata,84299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Boswellia'],['Boswellia serrata'],1,0,1.9214590191841125
2048,4725,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7643891,ISDB,,,,,,,ZLYIWYCHNAZAQI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.057556390762329
2049,4721,-1,,,,0.67338294,ISDB,YLEARPUNMCCKMP-DOFZRALJSA-N,"InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O,C22H35NO3,,361.26169398,YLEARPUNMCCKMP,Fatty acids,Fatty amides,N-acyl amines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],0,0,2.6935317516326904
2050,4720,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.397479,ISDB,IGMXPYZQDLGVQE-UHFFFAOYSA-N,"InChI=1S/C30H32O18/c1-42-18-4-12(2-3-14(18)32)17-7-16(34)23-15(33)5-13(6-19(23)46-17)45-28-26(48-29-27(40)30(41,10-31)11-44-29)25(39)24(38)20(47-28)9-43-22(37)8-21(35)36/h2-7,20,24-29,31-33,38-41H,8-11H2,1H3,(H,35,36)",COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc3o2)ccc1O,C30H32O18,,680.1588641839999,IGMXPYZQDLGVQE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,7.089915990829468
2051,4719,-1,,,,0.0,MS1_match,LSBHOHCINQFSLQ-ZPTDNNSVSA-N,"InChI=1S/C17H24O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,12,15-16H,4,6-8,10H2,1-3H3/b11-5+,14-9-/t12-,15-,16+/m0/s1",CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C17H24O4,pos_1_1proton1ethylamine,292.167459248,LSBHOHCINQFSLQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
2052,4719,-1,,,,0.0,MS1_match,MLZOGDXJUCWBRY-UHFFFAOYSA-N,"InChI=1S/C19H28O4/c1-4-6-8-10-12-14-17(21)19(22)18(23-16(3)20)15-13-11-9-7-5-2/h5,17-19,21-22H,2,4,6-7,9,11,13,15H2,1,3H3",C=CCCCCCC(OC(C)=O)C(O)C(O)C#CC#CCCC,C19H28O4,pos_1_1proton1ammonium,320.19875937599994,MLZOGDXJUCWBRY,Fatty acids,Fatty acyls,Fatty alcohols,Ptilostemon strictus,435912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon strictus'],7,0,7.0
2053,4719,-1,,,,0.0,MS1_match,MLZOGDXJUCWBRY-QYZOEREBSA-N,"InChI=1S/C19H28O4/c1-4-6-8-10-12-14-17(21)19(22)18(23-16(3)20)15-13-11-9-7-5-2/h5,17-19,21-22H,2,4,6-7,9,11,13,15H2,1,3H3/t17-,18+,19+/m1/s1",C=CCCCCC[C@H](OC(C)=O)[C@@H](O)[C@H](O)C#CC#CCCC,C19H28O4,pos_1_1proton1ammonium,320.198759376,MLZOGDXJUCWBRY,Fatty acids,Fatty acyls,Fatty alcohols,Cirsium japonicum,365894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium japonicum'],7,0,7.0
2054,4719,-1,,,,0.0,MS1_match,MLZOGDXJUCWBRY-UHFFFAOYSA-N,"InChI=1S/C19H28O4/c1-4-6-8-10-12-14-17(21)19(22)18(23-16(3)20)15-13-11-9-7-5-2/h5,17-19,21-22H,2,4,6-7,9,11,13,15H2,1,3H3",C=CCCCCCC(OC(C)=O)C(O)C(O)C#CC#CCCC,C19H28O4,pos_1_1proton1ammonium,320.19875937599994,MLZOGDXJUCWBRY,Fatty acids,Fatty acyls,Fatty alcohols,Ptilostemon strictus,435912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon strictus'],7,0,7.0
2055,4719,-1,,,,0.0,MS1_match,MLZOGDXJUCWBRY-QYZOEREBSA-N,"InChI=1S/C19H28O4/c1-4-6-8-10-12-14-17(21)19(22)18(23-16(3)20)15-13-11-9-7-5-2/h5,17-19,21-22H,2,4,6-7,9,11,13,15H2,1,3H3/t17-,18+,19+/m1/s1",C=CCCCCC[C@H](OC(C)=O)[C@@H](O)[C@H](O)C#CC#CCCC,C19H28O4,pos_1_1proton1ammonium,320.198759376,MLZOGDXJUCWBRY,Fatty acids,Fatty acyls,Fatty alcohols,Cirsium japonicum,365894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium japonicum'],7,0,7.0
2056,4719,-1,,,,0.0,MS1_match,ZIYOPAJORMZIKJ-SGYYOSLQSA-N,"InChI=1S/C19H28O4/c1-18-9-13(21)6-14(17(22)23)15(18)4-5-19-7-11(2-3-16(18)19)12(8-19)10-20/h10-16,21H,2-9H2,1H3,(H,22,23)/t11-,12-,13+,14+,15+,16-,18+,19?/m0/s1",C[C@@]12C[C@H](O)C[C@@H](C(=O)O)[C@H]1CCC13C[C@H](CC[C@H]12)[C@H](C=O)C3,C19H28O4,pos_1_1proton1ammonium,320.198759376,ZIYOPAJORMZIKJ,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Chamaeleon gummifer,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
2057,4718,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KFWPEZQKCIZSHF-VGKHSYQCSA-N,"InChI=1S/C28H44O8/c1-14(2)27(13-29)12-22(34)26(5,36-27)21-6-7-28(35)16-9-17(30)15-8-18(31)19(32)10-24(15,3)23(16)20(33)11-25(21,28)4/h9,14-15,18-23,29,31-35H,6-8,10-13H2,1-5H3/t15-,18+,19-,20+,21-,22-,23+,24-,25+,26+,27-,28+/m0/s1",CC(C)[C@@]1(CO)C[C@H](O)[C@@](C)([C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4[C@H](O)C[C@]23C)O1,C28H44O8,pos_2_1iron,508.303618368,KFWPEZQKCIZSHF,Terpenoids,Steroids,Ecdysteroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
2058,4718,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KFWPEZQKCIZSHF-CEXRJTNGSA-N,"InChI=1S/C28H44O8/c1-14(2)27(13-29)12-22(34)26(5,36-27)21-6-7-28(35)16-9-17(30)15-8-18(31)19(32)10-24(15,3)23(16)20(33)11-25(21,28)4/h9,14-15,18-23,29,31-35H,6-8,10-13H2,1-5H3/t15-,18+,19-,20+,21-,22-,23+,24-,25+,26+,27+,28+/m0/s1",CC(C)[C@]1(CO)C[C@H](O)[C@@](C)([C@H]2CC[C@@]3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4[C@H](O)C[C@]23C)O1,C28H44O8,pos_2_1iron,508.303618368,KFWPEZQKCIZSHF,Terpenoids,Steroids,Ecdysteroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
2059,4717,1059,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.43660474,ISDB,FCMSAPXDFYCBGJ-PWJLMRLQSA-N,"InChI=1S/C16H20O4/c1-8-6-5-7-10-11(8)9(2)12-14(13(10)19-4)20-15(17)16(12,3)18/h8,18H,5-7H2,1-4H3/t8-,16-/m0/s1",COc1c2c(c(C)c3c1OC(=O)[C@@]3(C)O)[C@@H](C)CCC2,C16H20O4,,276.13615912,FCMSAPXDFYCBGJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Psacalium radulifolium,6056988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Psacalium'],['Psacalium radulifolium'],4,3,7.2464189529418945
2060,4716,353,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.5957634,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.883053541183472
2061,4714,837,,,,0.0,MS1_match,OUSLYTBGQGKTME-UHFFFAOYSA-N,"InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2",O=C1C(OC2OC(CO)C(O)C(O)C2O)Oc2ccccc2N1O,C14H17NO9,pos_1_1potassium,343.090331124,OUSLYTBGQGKTME,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2062,4708,-1,,,,0.0,MS1_match,CLUWOWRTHNNBBU-UHFFFAOYSA-N,"InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3",CSCCC=O,C4H8OS,pos_2MHCH3CN,104.029585876,CLUWOWRTHNNBBU,Fatty acids,Fatty acyls,Fatty aldehydes,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,0,6.0
2063,4708,-1,,,,0.0,MS1_match,APTGPWJUOYMUCE-UHFFFAOYSA-N,"InChI=1S/C4H8OS/c1-3-6-4(2)5/h3H2,1-2H3",CCSC(C)=O,C4H8OS,pos_2MHCH3CN,104.029585876,APTGPWJUOYMUCE,,,,Durio zibethinus,236622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Durio'],['Durio zibethinus'],6,0,6.0
2064,4708,-1,,,,0.0,MS1_match,KOTWVBLTBCURNN-CLZZGJSISA-N,"InChI=1S/C7H8O7/c1-13-6(11)7(12)2-3(8)14-4(7)5(9)10/h4,12H,2H2,1H3,(H,9,10)/t4-,7-/m1/s1",COC(=O)[C@@]1(O)CC(=O)O[C@@H]1C(=O)O,C7H8O7,pos_1_1proton1ethylamine,204.027002596,KOTWVBLTBCURNN,,,,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,0,6.0
2065,4707,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.41474688,ISDB,RFENQHCDYDELRG-FSSGBPHASA-N,"InChI=1S/C27H43NO4/c1-15-24-22(32-27(15)9-6-16(14-29)13-28-27)11-21-19-5-4-17-10-18(30)7-8-25(17,2)20(19)12-23(31)26(21,24)3/h4,15-16,18-24,28-31H,5-14H2,1-3H3/t15-,16+,18-,19+,20-,21-,22-,23+,24-,25-,26+,27+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](CO)CN2,C27H43NO4,,445.31920885599993,RFENQHCDYDELRG,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],1,0,2.658987522125244
2066,4706,835,,,,0.0,MS1_match,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,pos_1_1proton1isopropanol,233.090806228,BCRXKWOQVFKZAG,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2067,4705,125,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.64505297,ISDB,PFTAWBLQPZVEMU-UKRRQHHQSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,11.080211877822876
2068,4696,601,Terpenoids,Steroids,Cholestane steroids,0.23538125,ISDB,LTDDELFZQAJPOQ-YBNKPEGMSA-N,"InChI=1S/C27H40O2/c1-6-17(2)7-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h7-8,16-18,20-22,28H,6,9-15H2,1-5H3/b8-7+/t17-,18-,20-,21+,22-,26-,27+/m0/s1",CC[C@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O,C27H40O2,,396.30283052,LTDDELFZQAJPOQ,Terpenoids,Steroids,Cholestane steroids,Topsentia,303880.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Topsentia'],['Unknown'],2,3,4.441524982452393
2069,4695,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7489373,ISDB,YAMUFBLWGFFICM-PTGWMXDISA-N,"InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h12-13,25,28H,5-11,14-24H2,1-4H3/b13-12-/t25-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H52NO7P,,521.348139634,YAMUFBLWGFFICM,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,3,4.495749235153198
2070,4693,-1,,,,0.0,MS1_match,PNNNRSAQSRJVSB-SLPGGIOYSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6+/m0/s1",C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O,C6H12O5,pos_1_1proton2acetonitrile,164.068473484,PNNNRSAQSRJVSB,Carbohydrates,Saccharides,Monosaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2071,4693,-1,,,,0.0,MS1_match,VRYALKFFQXWPIH-UHFFFAOYSA-N,"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2",O=CCC(O)C(O)C(O)CO,C6H12O5,pos_1_1proton2acetonitrile,164.068473484,VRYALKFFQXWPIH,Carbohydrates,Saccharides,Monosaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2072,4690,-1,,,,0.0,MS1_match,LNIQZRIHAMVRJA-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3",COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O4,pos_2_2proton2acetonitrile,268.073558864,LNIQZRIHAMVRJA,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2073,4690,-1,,,,0.0,MS1_match,SEOVTRFCIGRIMH-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",O=C(O)Cc1c[nH]c2ccccc12,C10H9NO2,pos_1_1proton,175.063328528,SEOVTRFCIGRIMH,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2074,4690,-1,,,,0.0,MS1_match,QXAUTQFAWKKNLM-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-13-10(12)8-6-11-9-5-3-2-4-7(8)9/h2-6,11H,1H3",COC(=O)c1c[nH]c2ccccc12,C10H9NO2,pos_1_1proton,175.063328528,QXAUTQFAWKKNLM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2075,4690,-1,,,,0.0,MS1_match,OBFAPCIUSYHFIE-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2",O=CCc1c[nH]c2ccc(O)cc12,C10H9NO2,pos_1_1proton,175.063328528,OBFAPCIUSYHFIE,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2076,4690,-1,,,,0.0,MS1_match,NFGIENSPALNOON-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3",COn1cc(C=O)c2ccccc21,C10H9NO2,pos_1_1proton,175.063328528,NFGIENSPALNOON,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2077,4690,-1,,,,0.0,MS1_match,HVRCLXXJIQTXHC-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)",Cn1cc(C(=O)O)c2ccccc21,C10H9NO2,pos_1_1proton,175.063328528,HVRCLXXJIQTXHC,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2078,4689,-1,,,,0.0,MS1_match,WKMUTMKVYCZMCR-GVPVRNJDSA-N,"InChI=1S/C45H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,38-39,42-46,49-51H,3-4,6,8-10,12,14-16,21-37H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC,C45H78O10,pos_2_2proton2acetonitrile,778.559498696,WKMUTMKVYCZMCR,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
2079,4688,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6182823,ISDB,HVIMVQHOZNMSQC-XMIBNAOQSA-N,"InChI=1S/C19H23NO4/c1-20-9-8-11-10-15(22-2)19(23-3)17-13-6-4-12(21)5-7-14(24-13)18(20)16(11)17/h6-7,10,12,18,21H,4-5,8-9H2,1-3H3/b13-6+,14-7?/t12-,18+/m0/s1",COc1cc2c3c(c1OC)/C1=C\C[C@H](O)CC=C(O1)[C@H]3N(C)CC2,C19H23NO4,,329.162708216,HVIMVQHOZNMSQC,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stephania longa,567682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Menispermaceae'],['Cissampelideae'],['Stephania'],['Stephania longa'],5,3,8.973129272460938
2080,4687,-1,,,,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2081,4687,-1,,,,0.0,MS1_match,IXORZMNAPKEEDV-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H22O6,pos_2_2sodium,346.141638424,IXORZMNAPKEEDV,Terpenoids,Diterpenoids,Gibberellins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2082,4687,-1,,,,0.0,MS1_match,WXTMDXOMEHJXQO-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",O=C(O)c1cc(O)ccc1O,C7H6O4,pos_1_1proton1acetonitrile,154.026608672,WXTMDXOMEHJXQO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2083,4687,-1,,,,0.0,MS1_match,NDEPTLCFICMYLH-UHFFFAOYSA-N,"InChI=1S/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)",COc1ccc2c(c1)OC(O)C(=O)N2,C9H9NO4,pos_1_1proton,195.053157768,NDEPTLCFICMYLH,Alkaloids,Anthranilic acid alkaloids,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2084,4687,-1,,,,0.0,MS1_match,IXORZMNAPKEEDV-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)",C=C1CC23CC1(O)CCC2C12C=CC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H22O6,pos_2_2sodium,346.141638424,IXORZMNAPKEEDV,Terpenoids,Diterpenoids,Gibberellins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2085,4685,258,Amino acids and Peptides,Small peptides,Dipeptides,0.3520156,ISDB,YDGMGEXADBMOMJ-LURJTMIESA-N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1",CN(C)C(=N)NCCC[C@H](N)C(=O)O,C8H18N4O2,,202.142975816,YDGMGEXADBMOMJ,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,2,6.40806245803833
2086,4685,258,Amino acids and Peptides,Small peptides,Dipeptides,0.3520156,ISDB,YDGMGEXADBMOMJ-LURJTMIESA-N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1",CN(C)C(=N)NCCC[C@H](N)C(=O)O,C8H18N4O2,,202.142975816,YDGMGEXADBMOMJ,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,2,6.40806245803833
2087,4685,258,Amino acids and Peptides,Small peptides,Dipeptides,0.3520156,ISDB,YDGMGEXADBMOMJ-UHFFFAOYSA-N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)",CN(C)C(=N)NCCCC(N)C(=O)O,C8H18N4O2,,202.142975816,YDGMGEXADBMOMJ,Amino acids and Peptides,Small peptides,Aminoacids,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,2,6.40806245803833
2088,4681,-1,,,,0.0,MS1_match,DSSYKIVIOFKYAU-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",CC12CCC(CC1=O)C2(C)C,C10H16O,pos_2MH,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2089,4681,-1,,,,0.0,MS1_match,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,pos_2MH,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2090,4681,-1,,,,0.0,MS1_match,WTEVQBCEXWBHNA-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",CC(C)=CCCC(C)=CC=O,C10H16O,pos_2MH,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2091,4681,-1,,,,0.0,MS1_match,NZGWDASTMWDZIW-MRVPVSSYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",CC(C)=C1CC[C@@H](C)CC1=O,C10H16O,pos_2MH,152.120115132,NZGWDASTMWDZIW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2092,4681,-1,,,,0.0,MS1_match,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,pos_2MH,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2093,4680,561,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,GPSDUZXPYCFOSQ-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",Cc1cccc(C(=O)O)c1,C8H8O2,pos_1_1proton2acetonitrile,136.052429496,GPSDUZXPYCFOSQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
2094,4678,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6260267,ISDB,CUUMXRBKJIDIAY-ZDUSSCGKSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3/t13-/m0/s1",CC1=CC[C@@H](C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,3,10.004106760025024
2095,4678,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6260267,ISDB,CUUMXRBKJIDIAY-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3",CC1=CCC(C(C)C)c2cc(C)ccc21,C15H20,,200.15650064,CUUMXRBKJIDIAY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton nitens,939537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton nitens'],6,3,10.004106760025024
2096,4677,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2097,4677,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,UGVIXKXYLBAZND-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-1-3-10(24)4-2-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4ccc(O)cc4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,UGVIXKXYLBAZND,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2098,4677,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,URVCVGNFSZHAOA-LSCFUAHRSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-3-1-2-4-10(9)24/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)/t11-,13-,14-,17-/m1/s1",OC[C@H]1O[C@@H](n2cnc3c(NCc4ccccc4O)ncnc32)[C@H](O)[C@@H]1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,URVCVGNFSZHAOA,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2099,4677,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,CMTVBCOBYCGDJR-UHFFFAOYSA-N,"InChI=1S/C17H19N5O5/c23-6-11-13(25)14(26)17(27-11)22-8-21-12-15(19-7-20-16(12)22)18-5-9-2-1-3-10(24)4-9/h1-4,7-8,11,13-14,17,23-26H,5-6H2,(H,18,19,20)",OCC1OC(n2cnc3c(NCc4cccc(O)c4)ncnc32)C(O)C1O,C17H19N5O5,pos_1_1proton1isopropanol,373.138618708,CMTVBCOBYCGDJR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2100,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neoserrata,1021278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neoserrata'],7,3,8.5
2101,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,3,8.5
2102,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
2103,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
2104,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,3,8.5
2105,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,3,8.5
2106,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,3,8.5
2107,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neopulchella,1060168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neopulchella'],7,3,8.5
2108,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
2109,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,3,8.5
2110,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus junonianus,404587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus junonianus'],7,3,8.5
2111,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
2112,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,3,8.5
2113,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea eopygmaea,869865.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea eopygmaea'],7,3,8.5
2114,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea brunneopilosa,410121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea brunneopilosa'],7,3,8.5
2115,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],7,3,8.5
2116,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria crupinoides,1036515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria crupinoides'],7,3,8.5
2117,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
2118,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
2119,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,3,8.5
2120,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
2121,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
2122,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,3,8.5
2123,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,3,8.5
2124,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,3,8.5
2125,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
2126,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-RMCNWUJSSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
2127,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
2128,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,3,8.5
2129,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
2130,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
2131,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,3,8.5
2132,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
2133,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
2134,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
2135,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
2136,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
2137,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_2MH,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
2138,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_2MH,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
2139,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
2140,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
2141,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
2142,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,3,8.5
2143,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MH,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,3,8.5
2144,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
2145,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum serratuloides,385654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum serratuloides'],7,3,8.5
2146,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
2147,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,3,8.5
2148,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,3,8.5
2149,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
2150,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,3,8.5
2151,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,3,8.5
2152,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,3,8.5
2153,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,3,8.5
2154,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea rhaponticoides,5537492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea rhaponticoides'],7,3,8.5
2155,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
2156,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea thracica,569822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea thracica'],7,3,8.5
2157,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,3,8.5
2158,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
2159,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
2160,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,3,8.5
2161,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
2162,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
2163,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,3,8.5
2164,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
2165,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
2166,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
2167,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
2168,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
2169,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
2170,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
2171,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
2172,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,3,8.5
2173,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
2174,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,SLZZSZNKFRLTEG-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-12(20)15-10(3)17(21)25-16(15)14-9(2)13(6-11(8)14)24-18(22)19(4)7-23-19/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)[C@]4(C)CO4)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C19H22O6,pos_2MH,346.141638424,SLZZSZNKFRLTEG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,3,8.5
2175,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2176,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2177,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,3,8.5
2178,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
2179,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea lipschitzii,7612463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea lipschitzii'],7,3,8.5
2180,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,3,8.5
2181,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,3,8.5
2182,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,3,8.5
2183,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia adenosticta,368326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia adenosticta'],7,3,8.5
2184,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
2185,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,3,8.5
2186,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,3,8.5
2187,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,3,8.5
2188,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
2189,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,3,8.5
2190,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-NZLQQEQQSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
2191,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea ptosimopappoides,49199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ptosimopappoides'],7,3,8.5
2192,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
2193,4676,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MH,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurothamnus maximus,879499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurothamnus'],['Centaurothamnus maximus'],7,3,8.5
2194,4673,-1,,,,0.0,MS1_match,JZLNEGYYSYMRBG-KLOLGFOXSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15+,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
2195,4673,-1,,,,0.0,MS1_match,BKQBPJIALFPDKG-UBJMXQSSSA-N,"InChI=1S/C17H22O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h9,11-16,19H,1-2,5-6H2,3-4H3/t9-,11+,12+,13+,14+,15-,16-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O5,pos_1_1sodium,306.146723804,BKQBPJIALFPDKG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
2196,4673,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1sodium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
2197,4673,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-KNFRCYCHSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3/t8-,9+,11+,13+,14+,15-,16-/m1/s1",C=C1C[C@H](OC(C)=O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
2198,4673,-1,,,,0.0,MS1_match,PENVAWWEHIPEFZ-GQGLPCBOSA-N,"InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-15-16(14(19)7-10)11(2)17(20)22-15/h5,8,14-16,19H,2,4,6-7,9H2,1,3H3/b10-5+,13-8+/t14-,15-,16+/m0/s1",C=C1C(=O)O[C@H]2/C=C(/COC(C)=O)CC/C=C(\C)C[C@H](O)[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,PENVAWWEHIPEFZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
2199,4673,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1sodium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
2200,4673,-1,,,,0.0,MS1_match,QEVHLUKQJLJTFL-GGSLXBGOSA-N,"InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-14(19)16-11(2)17(20)22-15(16)7-10/h5,8,14-16,19H,2,4,6-7,9H2,1,3H3/b10-5+,13-8-/t14-,15+,16+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(COC(C)=O)=C/[C@@H](O)[C@H]12,C17H22O5,pos_1_1sodium,306.146723804,QEVHLUKQJLJTFL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea seridis,539755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea polyacantha'],7,0,7.0
2201,4673,-1,,,,0.0,MS1_match,JZLNEGYYSYMRBG-IATJYDTKSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15-,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
2202,4672,111,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4191361,ISDB,GQXMQJMHHCTPEB-FFFOYBKKSA-N,"InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h17-18,26,28H,5-16,19-25H2,1-4H3/b18-17-/t26-/m1/s1",CCCCCCCCCCCCC/C=C\CCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO6P,,507.3688750779999,GQXMQJMHHCTPEB,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,3.176544427871704
2203,4671,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.73352087,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.434083461761475
2204,4671,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.73352087,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.434083461761475
2205,4668,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,FERSMFQBWVBKQK-CXTTVELOSA-N,"InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1",CC(C)(C#N)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C16H27NO11,pos_1_1proton1methanol,409.1584106839998,FERSMFQBWVBKQK,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],6,0,6.0
2206,4666,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.38939875,ISDB,LPOQROCPKZWCGK-CQRLEKJLSA-N,"InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)47-25-24(39)23(38)19(8-42-21(37)7-20(35)36)46-27(25)44-12-4-15(33)22-16(34)6-17(45-18(22)5-12)11-1-2-13(31)14(32)3-11/h1-6,19,23-28,30-33,38-41H,7-10H2,(H,35,36)/t19-,23-,24+,25-,26+,27-,28+,29-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O,C29H30O18,,666.14321412,LPOQROCPKZWCGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,7.0575950145721436
2207,4666,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.38939875,ISDB,LPOQROCPKZWCGK-UHFFFAOYSA-N,"InChI=1S/C29H30O18/c30-9-29(41)10-43-28(26(29)40)47-25-24(39)23(38)19(8-42-21(37)7-20(35)36)46-27(25)44-12-4-15(33)22-16(34)6-17(45-18(22)5-12)11-1-2-13(31)14(32)3-11/h1-6,19,23-28,30-33,38-41H,7-10H2,(H,35,36)",O=C(O)CC(=O)OCC1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(OC2OCC(O)(CO)C2O)C(O)C1O,C29H30O18,,666.14321412,LPOQROCPKZWCGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],4,3,7.0575950145721436
2208,4663,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1proton,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops geniculata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,3,8.5
2209,4663,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1proton,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops neglecta,34475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops neglecta'],7,3,8.5
2210,4663,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PATJZXBBUQEFOY-UHFFFAOYSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3",COc1cc(C=CC(=O)OCC(O)COC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1proton,444.142032348,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops ovata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,3,8.5
2211,4663,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1proton,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops geniculata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,3,8.5
2212,4663,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1proton,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops neglecta,34475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops neglecta'],7,3,8.5
2213,4663,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PATJZXBBUQEFOY-UHFFFAOYSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3",COc1cc(C=CC(=O)OCC(O)COC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1proton,444.142032348,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops ovata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,3,8.5
2214,4662,1455,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.30212063,ISDB,WUOGMWBLNQGZRV-ZWKOTPCHSA-N,"InChI=1S/C20H19NO7/c1-21-5-4-10-6-14-15(27-8-26-14)7-12(10)17(21)18(22)11-2-3-13-19(28-9-25-13)16(11)20(23)24/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3,(H,23,24)/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3,C20H19NO7,,385.116151948,WUOGMWBLNQGZRV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis aurea,3944902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis aurea'],6,3,8.708482503890991
2215,4662,1455,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.30212063,ISDB,WUOGMWBLNQGZRV-ZWKOTPCHSA-N,"InChI=1S/C20H19NO7/c1-21-5-4-10-6-14-15(27-8-26-14)7-12(10)17(21)18(22)11-2-3-13-19(28-9-25-13)16(11)20(23)24/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3,(H,23,24)/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3,C20H19NO7,,385.116151948,WUOGMWBLNQGZRV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,3,8.708482503890991
2216,4661,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.38974512,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.058980464935303
2217,4661,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.38974512,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.058980464935303
2218,4661,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.38974512,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.058980464935303
2219,4660,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.75757784,ISDB,LAXQYRRMGGEGOH-JXRLJXCWSA-N,"InChI=1S/C28H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,15-16,18-19,27,30H,5-8,11,14,17,20-26H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t27-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H50NO7P,,543.33248957,LAXQYRRMGGEGOH,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,5.530311346054077
2220,4658,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.90531313,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,3,11.121252536773682
2221,4658,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.90531313,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone grandiflora,739052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone grandiflora'],6,3,11.121252536773682
2222,4658,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.90531313,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,3,11.121252536773682
2223,4658,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.90531313,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,11.121252536773682
2224,4657,449,Terpenoids,Diterpenoids,Halimane diterpenoids,0.0,MS1_match,BMUFATOYHCANSA-QCKFJMSFSA-N,"InChI=1S/C21H26O3/c1-14-4-5-16-12-21(19(22)23-3)10-7-17(21)18(16)20(14,2)9-6-15-8-11-24-13-15/h5,7-8,10-11,13-14,17-18H,4,6,9,12H2,1-3H3/t14-,17+,18-,20+,21+/m1/s1",COC(=O)[C@]12C=C[C@H]1[C@H]1C(=CC[C@@H](C)[C@]1(C)CCc1ccoc1)C2,C21H26O3,pos_2MMg,326.188194692,BMUFATOYHCANSA,Terpenoids,Diterpenoids,Halimane diterpenoids,Nidorella ivifolia,7051132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella ivifolia'],6,3,7.5
2225,4656,258,Amino acids and Peptides,Small peptides,Dipeptides,0.51851493,ISDB,,,,,,,JMACEDIUUMWDIC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0740597248077393
2226,4650,-1,,,,0.0,MS1_match,BAQQRABCRRQRSR-UHFFFAOYSA-N,"InChI=1S/C4H7NO/c5-3-1-2-4-6/h6H,1-2,4H2",N#CCCCO,C4H7NO,pos_1_1proton1dmso,85.052763844,BAQQRABCRRQRSR,Fatty acids,Fatty acyls,Fatty alcohols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2227,4650,-1,,,,0.0,MS1_match,SFSJZXMDTNDWIX-UHFFFAOYSA-N,"InChI=1S/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)",CSCCCC(N)C(=O)O,C6H13NO2S,pos_1_1proton,163.066699656,SFSJZXMDTNDWIX,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2228,4650,-1,,,,0.0,MS1_match,YDBYJHTYSHBBAU-YFKPBYRVSA-N,"InChI=1S/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/t5-/m0/s1",C[S+](C)CC[C@H](N)C(=O)[O-],C6H13NO2S,pos_1_1proton,163.066699656,YDBYJHTYSHBBAU,Amino acids and Peptides,Small peptides,Aminoacids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2229,4650,-1,,,,0.0,MS1_match,ZMBZQTWWHCPKRS-UHFFFAOYSA-N,"InChI=1S/C5H9NOS/c7-4-2-1-3-6-5-8/h7H,1-4H2",OCCCCN=C=S,C5H9NOS,pos_1_1proton1methanol,131.040484908,ZMBZQTWWHCPKRS,Fatty acids,Fatty acyls,Fatty alcohols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2230,4649,-1,,,,0.0,MS1_match,AKNILCMFRRDTEY-NUGKWEEESA-N,"InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1",COc1cc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C23H28O13,pos_1_1sodium,512.1529909559998,AKNILCMFRRDTEY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
2231,4649,-1,,,,0.0,MS1_match,AKNILCMFRRDTEY-NUGKWEEESA-N,"InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1",COc1cc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C23H28O13,pos_1_1sodium,512.1529909559998,AKNILCMFRRDTEY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
2232,4645,441,Alkaloids,,,0.0,MS1_match,WTGXAWKVZMQEDA-FYPHCDFOSA-N,"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O,C15H19NO10,pos_1_1proton1ammonium,373.100895808,WTGXAWKVZMQEDA,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,1,6.5
2233,4643,-1,,,,0.26057574,ISDB,XGIOAOVXVGMJNM-UZCIPKQKSA-N,"InChI=1S/C18H26O3/c1-10(2)18-15-7-12(4)16(20-6)9-14(15)11(3)8-17(18)21-13(5)19/h7,9-11,17-18H,8H2,1-6H3/t11-,17+,18+/m0/s1",COc1cc2c(cc1C)[C@@H](C(C)C)[C@H](OC(C)=O)C[C@@H]2C,C18H26O3,,290.188194692,XGIOAOVXVGMJNM,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lemnalia cervicornis,4713433.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia cervicornis'],2,0,3.042302966117859
2234,4642,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.45248768,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],1,1,3.3099507093429565
2235,4642,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.45248768,ISDB,BCNPTKKIVMTZFO-BWEORVRESA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9-,18-11+/t20-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=O)C(C)(C)C[C@H](O)C1,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],1,1,3.3099507093429565
2236,4641,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.64804703,ISDB,LFZAQSKKPHEVOT-UHFFFAOYSA-N,"InChI=1S/C25H24O11/c26-16-6-1-14(2-7-16)4-9-21(29)35-19-12-25(34,24(32)33)13-20(23(19)31)36-22(30)10-5-15-3-8-17(27)18(28)11-15/h1-11,19-20,23,26-28,31,34H,12-13H2,(H,32,33)",O=C(C=Cc1ccc(O)cc1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O11,,500.1318615879999,LFZAQSKKPHEVOT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,3,10.092188119888306
2237,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,QZVBOHJQUQFCGN-UHFFFAOYSA-N,"InChI=1S/C26H40O6/c1-17-9-8-10-24-25(17,6)13-11-18(2)26(24,7)15-23(32-21(5)29)22(16-31-20(4)28)12-14-30-19(3)27/h12,18,23-24H,1,8-11,13-16H2,2-7H3",C=C1CCCC2C1(C)CCC(C)C2(C)CC(OC(C)=O)C(=CCOC(C)=O)COC(C)=O,C26H40O6,pos_2MFe,448.2824889999999,QZVBOHJQUQFCGN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Linaria saxatilis,562788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria saxatilis'],6,1,6.5
2238,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CDEVGTJBRPBOPH-BGUOUQLNSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32+,33-,34-,35+,36-,37+,38-,39+,40-,41+,43+,44+,45-,46+,47+/m1/s1",CC(C)=C[C@@H]1C[C@@](C)(O)[C@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]34CO[C@@]2(C4)O1,C47H76O18,pos_2_1proton1sodium,928.503165592,CDEVGTJBRPBOPH,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,1,6.5
2239,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CDEVGTJBRPBOPH-BGUOUQLNSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32+,33-,34-,35+,36-,37+,38-,39+,40-,41+,43+,44+,45-,46+,47+/m1/s1",CC(C)=C[C@@H]1C[C@@](C)(O)[C@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]34CO[C@@]2(C4)O1,C47H76O18,pos_2_1proton1sodium,928.503165592,CDEVGTJBRPBOPH,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,1,6.5
2240,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,CDEVGTJBRPBOPH-UHFFFAOYSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-15-45(7,57)38-23-8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,6)46(23)19-47(38,65-22)58-20-46)62-41-37(64-39-34(55)31(52)25(17-49)60-39)36(32(53)26(18-50)61-41)63-40-35(56)33(54)30(51)24(16-48)59-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3",CC(C)=CC1CC(C)(O)C2C3CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC4(C)C34COC2(C4)O1,C47H76O18,pos_2_1proton1sodium,928.503165592,CDEVGTJBRPBOPH,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,1,6.5
2241,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,WZWPYJOPCULCLQ-UOXCDNDQSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C47H76O18,pos_2_1proton1sodium,928.5031655920002,WZWPYJOPCULCLQ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,1,6.5
2242,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,WZWPYJOPCULCLQ-UOXCDNDQSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C47H76O18,pos_2_1proton1sodium,928.5031655920002,WZWPYJOPCULCLQ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,1,6.5
2243,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,WZWPYJOPCULCLQ-PZSUWVRYSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45-,46+,47-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@]1(C)O,C47H76O18,pos_2_1proton1sodium,928.503165592,WZWPYJOPCULCLQ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,1,6.5
2244,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,WZWPYJOPCULCLQ-UOXCDNDQSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C47H76O18,pos_2_1proton1sodium,928.5031655920002,WZWPYJOPCULCLQ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,1,6.5
2245,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,WZWPYJOPCULCLQ-UOXCDNDQSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45+,46+,47-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C47H76O18,pos_2_1proton1sodium,928.5031655920002,WZWPYJOPCULCLQ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,1,6.5
2246,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,WZWPYJOPCULCLQ-PZSUWVRYSA-N,"InChI=1S/C47H76O18/c1-21(2)14-22-18-58-47-19-46(20-59-47)23(38(47)45(22,7)57)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-44(28,46)6)63-41-37(65-39-34(55)31(52)25(16-49)61-39)36(32(53)26(17-50)62-41)64-40-35(56)33(54)30(51)24(15-48)60-40/h14,22-41,48-57H,8-13,15-20H2,1-7H3/t22-,23-,24-,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35-,36+,37-,38+,39+,40+,41+,43+,44-,45-,46+,47-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@]1(C)O,C47H76O18,pos_2_1proton1sodium,928.503165592,WZWPYJOPCULCLQ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,1,6.5
2247,4639,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,XFEAQADOLFIKCE-HSVHAYEGSA-N,"InChI=1S/C47H76O18/c1-41(2)22-9-11-27-43(5)15-13-26(45(7)16-14-30(64-45)42(3,4)65-39-34(55)32(53)31(52)24(18-48)60-39)44(43,6)17-28(51)46(27,8)23(22)10-12-29(41)62-38-35(56)33(54)36(25(19-49)61-38)63-40-37(57)47(58,20-50)21-59-40/h9,23-27,29-40,48-50,52-58H,10-21H2,1-8H3/t23-,24-,25-,26+,27+,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39+,40+,43+,44-,45+,46+,47-/m1/s1",CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@](O)(CO)[C@H]7O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1,C47H76O18,pos_2_1proton1sodium,928.503165592,XFEAQADOLFIKCE,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,1,6.5
2248,4638,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.696279,ISDB,SVRBKLJIDJHADS-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,SVRBKLJIDJHADS,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,3,4.285115957260132
2249,4637,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_1_1proton1methanol,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2250,4635,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.22079825,ISDB,MAZVKSCDHSGJNN-KRWDZBQOSA-N,"InChI=1S/C19H25N3O3/c1-20-16-8-13(11-23)15-9-22(2)10-17(21-18(15)19(16)25-3)12-4-6-14(24)7-5-12/h4-8,17,20-21,23-24H,9-11H2,1-3H3/t17-/m0/s1",CNc1cc(CO)c2c(c1OC)N[C@H](c1ccc(O)cc1)CN(C)C2,C19H25N3O3,,343.18959166,MAZVKSCDHSGJNN,Alkaloids,Anthranilic acid alkaloids,Benzodiazepine alkaloids,Aplysia kurodai,925102.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Anaspidea'],['Aplysiidae'],['Unknown'],['Aplysia'],['Aplysia kurodai'],1,1,2.383193016052246
2251,4633,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.44904122,ISDB,JGWHHQHWBOQVJU-UHFFFAOYSA-N,"InChI=1S/C18H27NO6/c1-3-11(2)17(18(24)25)19-15(21)10-12-8-9-14(20)13(12)6-4-5-7-16(22)23/h4-5,11-13,17H,3,6-10H2,1-2H3,(H,19,21)(H,22,23)(H,24,25)",CCC(C)C(NC(=O)CC1CCC(=O)C1CC=CCC(=O)O)C(=O)O,C18H27NO6,,353.18383758399995,JGWHHQHWBOQVJU,Amino acids and Peptides,Small peptides,Dipeptides,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,7.296164870262146
2252,4632,471,Fatty acids,Sphingolipids,Sphingoid bases,0.6243231,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],1,3,4.997292518615723
2253,4632,471,Fatty acids,Sphingolipids,Sphingoid bases,0.6243231,ISDB,CQKNELOTFUSOTP-HMTIOLNVSA-N,"InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1",CCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H](N)CO,C18H37NO3,,315.277344044,CQKNELOTFUSOTP,Fatty acids,Sphingolipids,Sphingoid bases,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],1,3,4.997292518615723
2254,4631,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,YGSDEFSMJLZEOE-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccccc1O,C7H6O3,pos_1_1proton,138.031694052,YGSDEFSMJLZEOE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
2255,4630,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,YXYJONNKPOKBIN-PNXKIQGHSA-N,"InChI=1S/C21H34O3/c1-15-7-10-18-20(2,3)11-6-12-21(18,4)17(15)9-8-16(14-22)13-19(23)24-5/h7,13,17-18,22H,6,8-12,14H2,1-5H3/b16-13+/t17-,18-,21+/m1/s1",COC(=O)/C=C(/CO)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@@]12C,C21H34O3,pos_1_1proton1isopropanol,334.250794948,YXYJONNKPOKBIN,Terpenoids,Diterpenoids,Labdane diterpenoids,Acritopappus confertus,5920784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acritopappus'],['Acritopappus confertus'],6,3,7.5
2256,4629,-1,,,,0.0,MS1_match,XXRYFVCIMARHRS-UHFFFAOYSA-N,"InChI=1S/C6H14NO5P/c1-5(2)12-6(8)7-13(9,10-3)11-4/h5H,1-4H3,(H,7,8,9)",COP(=O)(NC(=O)OC(C)C)OC,C6H14NO5P,pos_1_1proton1ethylamine,211.060959178,XXRYFVCIMARHRS,,,,Alopecurus myosuroides,904872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Alopecurus'],['Alopecurus myosuroides'],6,0,6.0
2257,4628,-1,,,,0.0,MS1_match,PGAJUQOMDBGDPH-BYYJYFEHSA-N,"InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@]23CO[C@](O)([C@@](C)(O)[C@H]12)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]1[C@H]3OC(=O)c1ccccc1,C35H44O11,pos_1_1proton,640.2883622279999,PGAJUQOMDBGDPH,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
2258,4628,-1,,,,0.0,MS1_match,PGAJUQOMDBGDPH-BYYJYFEHSA-N,"InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@]23CO[C@](O)([C@@](C)(O)[C@H]12)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]1[C@H]3OC(=O)c1ccccc1,C35H44O11,pos_1_1proton,640.2883622279999,PGAJUQOMDBGDPH,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
2259,4628,-1,,,,0.0,MS1_match,QIBBWTGAUNURQV-SXWZHASOSA-N,"InChI=1S/C35H44O11/c1-17-15-35-32(45-25(39)14-23-10-12-24(41-9)13-11-23)18(2)16-34(35,46-35)31(40)19(3)29(43-21(5)37)26-27(33(26,7)8)30(44-22(6)38)28(17)42-20(4)36/h10-13,15,18-19,26-30,32H,14,16H2,1-9H3/b17-15+/t18-,19+,26-,27+,28+,29-,30-,32-,34-,35-/m0/s1",COc1ccc(CC(=O)O[C@H]2[C@@H](C)C[C@@]34O[C@@]23/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C4=O)C2(C)C)cc1,C35H44O11,pos_1_1proton,640.288362228,QIBBWTGAUNURQV,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia officinarum,326310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia officinarum'],7,0,7.0
2260,4628,-1,,,,0.0,MS1_match,AFZYIEPTTCDNCQ-LFNWVHNASA-N,"InChI=1S/C32H36O10/c1-15-13-30-26(36)16(2)32(41-19(5)35)21(14-31(30,42-30)27(15)39-18(4)34)23(38-17(3)33)24(22-25(32)29(22,6)7)40-28(37)20-11-9-8-10-12-20/h8-12,14-16,22-25,27H,13H2,1-7H3/t15?,16-,22?,23-,24-,25?,27+,30+,31+,32+/m1/s1",CC(=O)O[C@@H]1C2=C[C@@]34O[C@@]3(CC(C)[C@@H]4OC(C)=O)C(=O)[C@@H](C)[C@@]2(OC(C)=O)C2C([C@H]1OC(=O)c1ccccc1)C2(C)C,C32H36O10,pos_1_1proton1isopropanol,580.230847352,AFZYIEPTTCDNCQ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
2261,4627,-1,,,,0.0,MS1_match,RXXAOQSKAKEJKR-PWPUYBRESA-N,"InChI=1S/C30H34O18/c1-10(32)44-28-24(40)20(36)17(8-31)46-30(28)43-9-18-21(37)23(39)25(41)29(47-18)48-27-22(38)19-14(35)6-12(33)7-16(19)45-26(27)11-3-4-13(34)15(5-11)42-2/h3-7,17-18,20-21,23-25,28-31,33-37,39-41H,8-9H2,1-2H3/t17-,18-,20-,21-,23+,24+,25-,28-,29+,30-/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C30H34O18,pos_1_1proton1ethylamine,682.174514248,RXXAOQSKAKEJKR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Meconopsis quintuplinervia,594027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis quintuplinervia'],6,0,6.0
2262,4626,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7700402,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],1,1,4.580160856246948
2263,4625,274,,,,0.0,MS1_match,BFBMDZOSZQDEKW-UHFFFAOYSA-N,"InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3",CSCCCCCCCCN=C=S,C10H19NS2,pos_1_1proton1methanol,217.095891608,BFBMDZOSZQDEKW,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2264,4624,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2265,4624,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2266,4621,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.25252298,ISDB,IMEFCKUOVURQRP-UHFFFAOYSA-N,"InChI=1S/C14H12N2O4/c17-12-6-13(18)16(12)11(14(19)20)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,19,20)",O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)CC1=O,C14H12N2O4,,272.079706864,IMEFCKUOVURQRP,Amino acids and Peptides,Small peptides,Aminoacids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,2,6.0100919008255005
2267,4621,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.25252298,ISDB,IMEFCKUOVURQRP-UHFFFAOYSA-N,"InChI=1S/C14H12N2O4/c17-12-6-13(18)16(12)11(14(19)20)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,19,20)",O=C(O)C(Cc1c[nH]c2ccccc12)N1C(=O)CC1=O,C14H12N2O4,,272.079706864,IMEFCKUOVURQRP,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,2,6.0100919008255005
2268,4620,-1,,,,0.0,MS1_match,UNRBZUUWIKVDQW-QEKYCXEFSA-N,"InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h19-22,24-27,31H,8-18H2,1-7H3/t21-,22-,24+,25-,26+,27-,28+,29-,30+/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C30H52O,pos_2MFe,428.401816284,UNRBZUUWIKVDQW,Terpenoids,Steroids,Stigmastane steroids,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,0,7.0
2269,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2270,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
2271,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2272,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2273,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
2274,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cirsium nipponicum,5144247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium nipponicum'],7,0,7.0
2275,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Cirsium nipponicum,5144247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium nipponicum'],7,0,7.0
2276,4620,-1,,,,0.0,MS1_match,PDGUDHUKTNJAMM-CZJMLBNZSA-N,"InChI=1S/C30H52O/c1-21(2)11-9-12-23(5)25-16-17-30(8)27-15-14-24(22(3)4)26(13-10-20-31)28(27,6)18-19-29(25,30)7/h11,23,25-27,31H,9-10,12-20H2,1-8H3/t23-,25-,26+,27-,28-,29-,30+/m0/s1",CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CCC(=C(C)C)[C@@H](CCCO)[C@]3(C)CC[C@@]12C,C30H52O,pos_2MFe,428.401816284,PDGUDHUKTNJAMM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2277,4620,-1,,,,0.0,MS1_match,UNRBZUUWIKVDQW-QEKYCXEFSA-N,"InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h19-22,24-27,31H,8-18H2,1-7H3/t21-,22-,24+,25-,26+,27-,28+,29-,30+/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C30H52O,pos_2MFe,428.401816284,UNRBZUUWIKVDQW,Terpenoids,Steroids,Stigmastane steroids,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,0,7.0
2278,4618,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.49532628,ISDB,UUADGBNGCDJIKC-YPCKSBQDSA-N,"InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(40-8)39-7-16-20(33)23(36)24(37)26(42-16)18-13(31)6-15-17(21(18)34)12(30)5-14(41-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-38H,7H2,1H3/t8-,16-,19-,20+,22-,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O15,,594.15847026,UUADGBNGCDJIKC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum,31937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Unknown'],8,3,11.481305122375488
2279,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
2280,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,3,8.5
2281,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
2282,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2283,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2284,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-UHFFFAOYSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)",O=C(O)C=Cc1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],7,3,8.5
2285,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
2286,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
2287,4617,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
2288,4614,1150,Fatty acids,Eicosanoids,Thromboxanes,0.46386266,ISDB,NGVOPKDYDKTASH-RGRKKRSMSA-N,"InChI=1S/C21H34O4/c1-3-4-5-6-7-11-14-19(22)20(24-2)17-16-18-13-10-8-9-12-15-21(23)25-18/h7-8,10-11,16-20,22H,3-6,9,12-15H2,1-2H3/b10-8?,11-7?,17-16+/t18-,19-,20?/m0/s1",CCCCCC=CC[C@H](O)C(/C=C/[C@@H]1CC=CCCCC(=O)O1)OC,C21H34O4,,350.245709568,NGVOPKDYDKTASH,Fatty acids,Eicosanoids,Thromboxanes,Topsentia,303880.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Topsentia'],['Unknown'],2,3,5.355450630187988
2289,4610,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5906365,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis trichanthera,755721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis trichanthera'],4,0,6.362545967102051
2290,4610,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5906365,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,0,6.362545967102051
2291,4609,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,MVMBTNNVZQRZQT-UPHATXTLSA-N,"InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+/t10-,11-,13+,14+,15+,16+,17-,20-,21-/m0/s1",C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C21H31N5O10,pos_2_2proton1ammonium,513.207092192,MVMBTNNVZQRZQT,Alkaloids,Pseudoalkaloids,Purine alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,1,7.5
2292,4609,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,MVMBTNNVZQRZQT-UPHATXTLSA-N,"InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+/t10-,11-,13+,14+,15+,16+,17-,20-,21-/m0/s1",C/C(=C\CNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,C21H31N5O10,pos_2_2proton1ammonium,513.207092192,MVMBTNNVZQRZQT,Alkaloids,Pseudoalkaloids,Purine alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,1,7.5
2293,4607,74,Amino acids and Peptides,Small peptides,Aminoacids,0.6589862,ISDB,,,,,,,VNYDHJARLHNEGA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6359448432922363
2294,4606,-1,,,,0.30962408,ISDB,YATGOOKAKMOJRD-VSMZHVHMSA-N,"InChI=1S/C28H42O5/c1-15-12-24(33-25(31)16(15)2)28(5,32)22-9-8-20-19-7-6-17-13-18(29)14-23(30)27(17,4)21(19)10-11-26(20,22)3/h6,18-24,29-30,32H,7-14H2,1-5H3/t18-,19+,20+,21+,22+,23+,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O5,,458.303224444,YATGOOKAKMOJRD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],1,0,2.2384963035583496
2295,4606,-1,,,,0.30962408,ISDB,YATGOOKAKMOJRD-VSMZHVHMSA-N,"InChI=1S/C28H42O5/c1-15-12-24(33-25(31)16(15)2)28(5,32)22-9-8-20-19-7-6-17-13-18(29)14-23(30)27(17,4)21(19)10-11-26(20,22)3/h6,18-24,29-30,32H,7-14H2,1-5H3/t18-,19+,20+,21+,22+,23+,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O5,,458.303224444,YATGOOKAKMOJRD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],1,0,2.2384963035583496
2296,4605,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.75500613,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.520024538040161
2297,4605,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.75500613,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.520024538040161
2298,4604,-1,,,,0.397847,ISDB,JVTMISSEQVWUHD-OQFHVCKYSA-N,"InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24-27(2,29)30-26(25)28/h11-12,14-15,17-18,24,29H,3-10,13,16,19-23H2,1-2H3/b12-11-,15-14-,18-17-/t27-/m1/s1",CCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC1=C[C@](C)(O)OC1=O,C27H44O3,,416.329045268,JVTMISSEQVWUHD,Polyketides,Linear polyketides,Acetogenins,Euplexaura flava,3677683.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Euplexaura'],['Euplexaura flava'],2,0,3.591387987136841
2299,4604,-1,,,,0.397847,ISDB,JVTMISSEQVWUHD-OQFHVCKYSA-N,"InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24-27(2,29)30-26(25)28/h11-12,14-15,17-18,24,29H,3-10,13,16,19-23H2,1-2H3/b12-11-,15-14-,18-17-/t27-/m1/s1",CCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC1=C[C@](C)(O)OC1=O,C27H44O3,,416.329045268,JVTMISSEQVWUHD,Polyketides,Linear polyketides,Acetogenins,Plexaura flava,3677595.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaura'],['Plexaura flava'],2,0,3.591387987136841
2300,4604,-1,,,,0.397847,ISDB,JVTMISSEQVWUHD-OQFHVCKYSA-N,"InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-24-27(2,29)30-26(25)28/h11-12,14-15,17-18,24,29H,3-10,13,16,19-23H2,1-2H3/b12-11-,15-14-,18-17-/t27-/m1/s1",CCCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC1=C[C@](C)(O)OC1=O,C27H44O3,,416.329045268,JVTMISSEQVWUHD,Polyketides,Linear polyketides,Acetogenins,Pinnigorgia flava,169634.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Pinnigorgia'],['Pinnigorgia flava'],2,0,3.591387987136841
2301,4601,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-STPOGHIWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20+,22+,24-,25+,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1sodium,576.147905576,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
2302,4601,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-FLCGOUAWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9+,19+,20-,22-,24-,25+,26-,27+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@@H](C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1sodium,576.1479055759999,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,0,6.0
2303,4601,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-STPOGHIWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20+,22+,24-,25+,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1sodium,576.147905576,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
2304,4601,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-FLCGOUAWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9+,19+,20-,22-,24-,25+,26-,27+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@@H](C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1sodium,576.1479055759999,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,0,6.0
2305,4601,-1,,,,0.0,MS1_match,GKLSYIMLZDYQBJ-CGOKOBCESA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3/t8-,9+,19+,22-,23+,24-,25+,26-,27+/m0/s1",C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)C1=O,C27H28O14,pos_1_1sodium,576.1479055759999,GKLSYIMLZDYQBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
2306,4599,413,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,0.686917,ISDB,UQTDTFGCPOVWBK-CSXWMVMESA-N,"InChI=1S/C22H30O3/c1-18(2)15-12-16(23)20(4)14(19(15,3)10-7-17(24)25-18)6-11-21-8-5-9-22(20,21)13-21/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3/t14-,15+,19-,20+,21-,22-/m1/s1",CC1(C)OC(=O)C=C[C@]2(C)[C@H]3CC[C@@]45CCC[C@@]4(C5)[C@]3(C)C(=O)C[C@@H]12,C22H30O3,,342.21949482,UQTDTFGCPOVWBK,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,Simarouba amara,452697.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Simarouba'],['Simarouba amara'],4,3,8.247668027877808
2307,4597,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7184236,ISDB,PWXZKALLXDXZPK-QHSBEEBCSA-N,"InChI=1S/C15H22O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14-16H,1,5-6H2,2-4H3/t11-,12-,14-,15-/m1/s1",C=C(C)C1=C[C@@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12,C15H22O,,218.167065324,PWXZKALLXDXZPK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eupatorium adenophorum,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,3,10.37369441986084
2308,4597,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7184236,ISDB,PWXZKALLXDXZPK-QHSBEEBCSA-N,"InChI=1S/C15H22O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14-16H,1,5-6H2,2-4H3/t11-,12-,14-,15-/m1/s1",C=C(C)C1=C[C@@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12,C15H22O,,218.167065324,PWXZKALLXDXZPK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ageratina adenophora,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,3,10.37369441986084
2309,4596,74,Amino acids and Peptides,Small peptides,Aminoacids,0.90083224,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,9.103328943252563
2310,4590,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.33026165,ISDB,UIUSQYGQZRBKCC-NHWXEJKLSA-N,"InChI=1S/C40H54O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-26,36-37,41H,5,27-29H2,1-4,6-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37+/m1/s1",C=C1C=CCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C40H54O,,550.417466348,UIUSQYGQZRBKCC,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-γ)",Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.821046590805054
2311,4584,1012,Shikimates and Phenylpropanoids,Chromanes,Flavones,0.0,MS1_match,LGTXUFBDCDFQIU-UHFFFAOYSA-N,"InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3",COc1ccc(-c2cc(=O)c3ccc(OC)cc3o2)cc1,C17H14O4,pos_2_2sodium,282.089208928,LGTXUFBDCDFQIU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gynerium sagittatum,885307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Gynerieae'],['Gynerium'],['Gynerium sagittatum'],6,3,7.5
2312,4584,1012,Shikimates and Phenylpropanoids,Chromanes,Flavones,0.0,MS1_match,QWKKIZJQYRIBHF-UHFFFAOYSA-N,"InChI=1S/C17H14O4/c1-19-13-5-3-11(4-6-13)15-8-7-14-16(20-2)9-12(18)10-17(14)21-15/h3-10H,1-2H3",COc1ccc(-c2ccc3c(OC)cc(=O)cc-3o2)cc1,C17H14O4,pos_2_2sodium,282.089208928,QWKKIZJQYRIBHF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,3,7.5
2313,4582,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,NVOCCBXEUQWGFG-UHFFFAOYSA-N,"InChI=1S/C39H54O8/c1-6-7-8-9-10-11-12-13-17-20-30(40)47-38-23-26(3)37-22-25(2)32(41)39(37,45)33(42)28(21-29(34(37)43)31(38)36(38,4)5)24-46-35(44)27-18-15-14-16-19-27/h14-16,18-19,21-22,26,29,31-33,41-42,45H,6-13,17,20,23-24H2,1-5H3",CCCCCCCCCCCC(=O)OC12CC(C)C34C=C(C)C(O)C3(O)C(O)C(COC(=O)c3ccccc3)=CC(C4=O)C1C2(C)C,C39H54O8,pos_1_minus1proton1magnesium,650.381868688,NVOCCBXEUQWGFG,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
2314,4582,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,JQTHPXTZPDJGLO-UHFFFAOYSA-N,"InChI=1S/C39H54O8/c1-6-7-8-9-10-11-12-13-17-20-30(41)47-38-23-26(3)37-22-25(2)34(46-35(44)27-18-15-14-16-19-27)39(37,45)32(42)28(24-40)21-29(33(37)43)31(38)36(38,4)5/h14-16,18-19,21-22,26,29,31-32,34,40,42,45H,6-13,17,20,23-24H2,1-5H3",CCCCCCCCCCCC(=O)OC12CC(C)C34C=C(C)C(OC(=O)c5ccccc5)C3(O)C(O)C(CO)=CC(C4=O)C1C2(C)C,C39H54O8,pos_1_minus1proton1magnesium,650.381868688,JQTHPXTZPDJGLO,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
2315,4581,-1,,,,0.0,MS1_match,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,pos_1_1sodium1acetonitrile,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],7,0,7.0
2316,4577,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.76555884,ISDB,GGJRAQULURVTAJ-LVTNFWOSSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-/t20-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H36O4,,352.261359632,GGJRAQULURVTAJ,Fatty acids,Glycerolipids,Monoacylglycerols,Adenocaulon himalaicum,935632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Adenocaulon'],['Adenocaulon himalaicum'],6,1,9.562235355377197
2317,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
2318,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
2319,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2320,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
2321,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2322,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
2323,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2324,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
2325,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
2326,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
2327,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
2328,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2329,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
2330,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-NUUCXFROSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14-,15+,17-/m0/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
2331,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-NUUCXFROSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14-,15+,17-/m0/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
2332,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
2333,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
2334,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
2335,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2336,4576,-1,,,,0.0,MS1_match,ZQRRKBGCYMUFFE-YJWMFZRXSA-N,"InChI=1S/C19H28O9/c1-4-26-18-15(22)14(10-21)27-19(16(18)23)28-17-12(24-2)8-11(6-5-7-20)9-13(17)25-3/h5-6,8-9,14-16,18-23H,4,7,10H2,1-3H3/b6-5+/t14-,15-,16-,18+,19+/m1/s1",CCO[C@@H]1[C@@H](O)[C@H](Oc2c(OC)cc(/C=C/CO)cc2OC)O[C@H](CO)[C@H]1O,C19H28O9,pos_1_1proton1ammonium,400.1733324759999,ZQRRKBGCYMUFFE,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
2337,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2338,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
2339,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2340,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2341,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
2342,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
2343,4576,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
2344,4573,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WOVBLOXQMWZOCT-XBLVEGMJSA-N,"InChI=1S/C19H27NO2/c1-3-4-5-6-7-8-9-10-19(21)20-16-15-17-11-13-18(22-2)14-12-17/h7-14H,3-6,15-16H2,1-2H3,(H,20,21)/b8-7+,10-9+",CCCCC/C=C/C=C/C(=O)NCCc1ccc(OC)cc1,C19H27NO2,pos_1_minus1proton1magnesium,301.204179104,WOVBLOXQMWZOCT,Alkaloids,,,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],6,0,6.0
2345,4573,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SMIMDPKWDHJDGC-UHFFFAOYSA-N,"InChI=1S/C19H27NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20-17-19(2,3)22/h1,8-9,15-16,22H,7,10-14,17H2,2-3H3,(H,20,21)",C#CC#CCC=CCCCCCC=CC(=O)NCC(C)(C)O,C19H27NO2,pos_1_minus1proton1magnesium,301.204179104,SMIMDPKWDHJDGC,Fatty acids,Fatty amides,N-acyl amines,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],6,0,6.0
2346,4573,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VOPSFXLIPFJEHR-HFZRVDPXSA-N,"InChI=1S/C35H54O8/c1-31(2)13-10-18-19(16-31)20-8-9-23-33(5)14-12-24(42-30-27(39)25(37)26(38)28(43-30)29(40)41)32(3,4)22(33)11-15-34(23,6)35(20,7)17-21(18)36/h8,18-19,22-28,30,37-39H,9-17H2,1-7H3,(H,40,41)/t18-,19+,22-,23+,24-,25-,26-,27+,28-,30+,33-,34+,35+/m0/s1",CC1(C)CC[C@@H]2C(=O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C35H54O8,pos_2_2sodium,602.381868688,VOPSFXLIPFJEHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aster auriculatus,83905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster auriculatus'],6,0,6.0
2347,4572,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.6316627,ISDB,,,,,,,NOXWNIQIEPDBLD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.526650905609131
2348,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Phedimus stoloniferus,7049978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus stoloniferus'],4,3,7.80898904800415
2349,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum acre,387652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum acre'],4,3,7.80898904800415
2350,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum lancerottense,134391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum lancerottense'],4,3,7.80898904800415
2351,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum fusiforme,134402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum fusiforme'],4,3,7.80898904800415
2352,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum brissemoreti,5326544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum brissemoretii'],4,3,7.80898904800415
2353,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-UHFFFAOYSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3",CN1CCCCC1CC(O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lobelia inflata,618368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia inflata'],4,3,7.80898904800415
2354,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Phedimus aizoon,308119.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Phedimus'],['Phedimus aizoon'],4,3,7.80898904800415
2355,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Hylotelephium telephium,316299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Hylotelephium'],['Hylotelephium telephium'],4,3,7.80898904800415
2356,4571,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.57724726,ISDB,GOWRYACIDZSIHI-KBPBESRZSA-N,"InChI=1S/C14H21NO/c1-15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-4,7-8,13-14,16H,5-6,9-11H2,1H3/t13-,14-/m0/s1",CN1CCCC[C@H]1C[C@H](O)c1ccccc1,C14H21NO,,219.162314292,GOWRYACIDZSIHI,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Hylotelephium ewersii,793413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Hylotelephium'],['Hylotelephium ewersii'],4,3,7.80898904800415
2357,4567,-1,,,,0.0,MS1_match,RZMPCRFYODCCJN-DJKAJKLHSA-N,"InChI=1S/C40H66N2O13/c1-2-26(44)15-13-11-9-7-5-3-4-6-8-10-12-14-16-32(45)41-20-19-25-22-42-29-18-17-27(21-28(25)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,26,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)/t26-,30+,31+,33+,34+,35-,36-,37+,38+,39+,40+/m0/s1",CC[C@H](O)CCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C40H66N2O13,pos_1_1proton,782.456490172,RZMPCRFYODCCJN,,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
2358,4567,-1,,,,0.0,MS1_match,RDRLCTWXJMMJDI-PUEGGVSVSA-N,"InChI=1S/C40H66N2O13/c1-25(44)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-32(45)41-20-19-26-22-42-29-18-17-27(21-28(26)29)53-40-38(51)36(49)34(47)31(55-40)24-52-39-37(50)35(48)33(46)30(23-43)54-39/h17-18,21-22,25,30-31,33-40,42-44,46-51H,2-16,19-20,23-24H2,1H3,(H,41,45)/t25-,30+,31+,33+,34+,35-,36-,37+,38+,39+,40+/m0/s1",C[C@H](O)CCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc12,C40H66N2O13,pos_1_1proton,782.456490172,RDRLCTWXJMMJDI,Alkaloids,,,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
2359,4563,-1,,,,0.0,MS1_match,GDSYPXWUHMRTHT-SPFKKGSWSA-N,"InChI=1S/C11H19NO6/c1-11(2,3-4-12)18-10-9(16)8(15)7(14)6(5-13)17-10/h6-10,13-16H,3,5H2,1-2H3/t6-,7-,8+,9-,10+/m1/s1",CC(C)(CC#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,GDSYPXWUHMRTHT,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
2360,4563,-1,,,,0.0,MS1_match,CQWWASNOGSDPRL-OVHRRVLLSA-N,"InChI=1S/C11H19NO6/c1-5(2)6(3-12)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t6-,7+,8+,9-,10+,11+/m0/s1",CC(C)[C@H](C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO6,pos_1_minus1proton1magnesium,261.121237328,CQWWASNOGSDPRL,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
2361,4562,495,Terpenoids,Steroids,Cholestane steroids,0.42173985,ISDB,YIKKMWSQVKJCOP-ABXCMAEBSA-N,"InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O2,,400.334130648,YIKKMWSQVKJCOP,Terpenoids,Steroids,Cholestane steroids,Costus tonkinensis,3947198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Costaceae'],['Unknown'],['Costus'],['Costus tonkinensis'],4,3,7.186959385871887
2362,4560,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.49625006,ISDB,RUZPYFCFWHFTJY-DEQVHDEQSA-N,"InChI=1S/C14H25NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4-7,13H,8-12H2,1-3H3,(H,15,16)/b5-4+,7-6-",C/C=C/C=C\CCCCC(=O)NCC(C)C,C14H25NO,,223.19361442,RUZPYFCFWHFTJY,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],4,1,6.485000252723694
2363,4556,258,Amino acids and Peptides,Small peptides,Dipeptides,0.84198976,ISDB,ZRJHYOXNWCMGMW-YUMQZZPRSA-N,"InChI=1S/C11H19N5O2/c12-11(13)14-5-1-3-7-10(18)16-6-2-4-8(16)9(17)15-7/h7-8H,1-6H2,(H,15,17)(H4,12,13,14)/t7-,8-/m0/s1",N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C1=O,C11H19N5O2,,253.153874848,ZRJHYOXNWCMGMW,Amino acids and Peptides,Small peptides,Dipeptides,Axinella vaceleti,153529.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella vaceleti'],2,3,6.867959022521973
2364,4555,-1,,,,0.0,MS1_match,XXIKYCPRDXIMQM-UHFFFAOYSA-N,"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3",CC(=O)OCC=C(C)C,C7H12O2,pos_1_1proton1ammonium,128.083729624,XXIKYCPRDXIMQM,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2365,4555,-1,,,,0.0,MS1_match,TZMFJUDUGYTVRY-UHFFFAOYSA-N,"InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",CCC(=O)C(C)=O,C5H8O2,pos_1_1proton1ethylamine,100.052429496,TZMFJUDUGYTVRY,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2366,4555,-1,,,,0.0,MS1_match,HNJBEVLQSNELDL-UHFFFAOYSA-N,"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",O=C1CCCN1,C4H7NO,pos_1_1proton1isopropanol,85.052763844,HNJBEVLQSNELDL,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2367,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus,266228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Unknown'],4,3,8.295302629470825
2368,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Pilocarpus riedelianus,6125579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Pilocarpus'],['Pilocarpus riedelianus'],4,3,8.295302629470825
2369,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-GFCCVEGCSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m1/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cyperus rotundus,338773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cypereae'],['Cyperus'],['Cyperus rotundus'],4,3,8.295302629470825
2370,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Schinus molle,411495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Schinus'],['Schinus molle'],4,3,8.295302629470825
2371,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Uvaria chamae,340656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria chamae'],4,3,8.295302629470825
2372,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Acorus calamus,1008193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Acorales'],['Acoraceae'],['Unknown'],['Acorus'],['Acorus calamus'],4,3,8.295302629470825
2373,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lithraea molleoides,556811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Lithrea'],['Lithrea molleoides'],4,3,8.295302629470825
2374,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Bupleurum acutifolium,884713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Bupleureae'],['Bupleurum'],['Bupleurum acutifolium'],4,3,8.295302629470825
2375,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-UHFFFAOYSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)=CCC2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,3,8.295302629470825
2376,4553,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.69882566,ISDB,YLIAZCIBLKJTKN-LBPRGKRZSA-N,"InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7-10,12H,6H2,1-4H3/t12-/m0/s1",Cc1ccc2c(c1)C(C(C)C)=CC[C@@H]2C,C15H20,,200.15650064,YLIAZCIBLKJTKN,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cleistopholis patens,3867599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Unknown'],['Cleistopholis'],['Cleistopholis patens'],4,3,8.295302629470825
2377,4549,1307,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.7536421,ISDB,DTGDFYCZENUAMR-LEEVSCAKSA-N,"InChI=1S/C20H30O2/c1-17(2)7-4-8-18(3)14(17)5-9-19-11-12-20(13-19,16(21)22)10-6-15(18)19/h11-12,14-15H,4-10,13H2,1-3H3,(H,21,22)/t14-,15+,18-,19+,20+/m1/s1",CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C(=O)O)(CC[C@H]12)C3,C20H30O2,,302.2245802,DTGDFYCZENUAMR,Terpenoids,Diterpenoids,Beyerane diterpenoids,Petunia patagonica,5760360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia patagonica'],6,3,10.514568328857422
2378,4548,-1,,,,0.0,MS1_match,BWIXNBSQYZAAFZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-7,15,17H,1H3,(H,18,19)",CC(O)c1nc(C(=O)O)cc2c1[nH]c1ccccc12,C14H12N2O3,pos_1_1proton,256.084792244,BWIXNBSQYZAAFZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,0,7.0
2379,4547,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
2380,4545,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22780733,ISDB,NXZJPJLQVAKBTH-HSZSGIPCSA-N,"InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-26(34)32(8)23-12-13-25-29(4,5)27(37-21(3)33)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24+,25-,26-,27-,30+,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C,C32H48O5,,512.350174636,NXZJPJLQVAKBTH,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Ganoderma lucidum,60045.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Ganodermataceae'],['Unknown'],['Ganoderma'],['Ganoderma lucidum'],1,3,3.4112293124198914
2381,4544,-1,,,,0.39700738,ISDB,LXMUZMFQJGRVFW-NDPMZMCLSA-N,"InChI=1S/C15H16O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-11,13H,1-2,6-7H2,3H3/t10-,11+,13-,15-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)C=CC(=O)C(=C)[C@@H]3C[C@H]12,C15H16O3,,244.109944372,LXMUZMFQJGRVFW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,0,8.588029503822327
2382,4543,-1,,,,0.6627749,ISDB,UYLGYRGJFUJKFM-UHFFFAOYSA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3",CC1CCC2C(C)(C)CCCC23Oc2ccc(O)cc2CC13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Hymeniacidon perleve,1037755.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Hymeniacidon'],['Hymeniacidon perlevis'],2,0,4.651099681854248
2383,4543,-1,,,,0.6627749,ISDB,UYLGYRGJFUJKFM-UHFFFAOYSA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3",CC1CCC2C(C)(C)CCCC23Oc2ccc(O)cc2CC13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Hymeniacidon perlevis,1037755.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Hymeniacidon'],['Hymeniacidon perlevis'],2,0,4.651099681854248
2384,4543,-1,,,,0.6627749,ISDB,UYLGYRGJFUJKFM-LAFCKDTASA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3/t14-,18?,20+,21?/m0/s1",C[C@H]1CCC2C(C)(C)CCCC23Oc2ccc(O)cc2C[C@]13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Smenospongia,730471.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Smenospongia'],['Unknown'],2,0,4.651099681854248
2385,4543,-1,,,,0.6627749,ISDB,UYLGYRGJFUJKFM-PXNLJIHASA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3/t14-,18-,20+,21-/m0/s1",C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(O)cc2C[C@]13C,C21H30O2,,314.22458019999993,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Smenospongia aurea,486000.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Smenospongia'],['Smenospongia aurea'],2,0,4.651099681854248
2386,4543,-1,,,,0.6627749,ISDB,UYLGYRGJFUJKFM-JFJAIVLJSA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3/t14-,18-,20+,21+/m0/s1",C[C@H]1CC[C@H]2C(C)(C)CCC[C@@]23Oc2ccc(O)cc2C[C@]13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Verongula rigida,314621.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Verongiida'],['Aplysinidae'],['Unknown'],['Verongula'],['Verongula rigida'],2,0,4.651099681854248
2387,4542,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,XGRYRNQISNOEGY-UHFFFAOYSA-N,"InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3",C[S+]([O-])CCCCCCCCC#N,C10H19NOS,pos_1_1proton1dmso,201.118735228,XGRYRNQISNOEGY,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2388,4539,68,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.67073125,ISDB,VXUOFDJKYGDUJI-OAQYLSRUSA-N,"InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1",CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C22H46NO7P,,467.3011894419999,VXUOFDJKYGDUJI,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],0,3,4.18292498588562
2389,4538,749,Terpenoids,Diterpenoids,Cholestane steroids,0.0,MS1_match,BNXCGNXMUCWRST-GOJKELCZSA-N,"InChI=1S/C43H64O11/c1-11-29(23(2)3)13-12-24(4)32-14-15-33-37-34(17-19-43(32,33)10)42(9)18-16-31(20-30(42)21-35(37)48)53-41-40(52-28(8)47)39(51-27(7)46)38(50-26(6)45)36(54-41)22-49-25(5)44/h12-13,21,23-24,29,31-34,36-41H,11,14-20,22H2,1-10H3/b13-12+/t24-,29-,31+,32-,33+,34+,36-,37+,38-,39+,40-,41-,42+,43-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C43H64O11,pos_2_1iron,756.444862868,BNXCGNXMUCWRST,Terpenoids,Steroids,Cholestane steroids,Gynura japonica,5921027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynura'],['Gynura japonica'],6,3,7.5
2390,4537,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RRGYKMGILZUEMN-UHFFFAOYSA-N,"InChI=1S/C11H12O6/c1-7(12)17-11(15,16-2)10(14)8-5-3-4-6-9(8)13/h3-6,13,15H,1-2H3",COC(O)(OC(C)=O)C(=O)c1ccccc1O,C11H12O6,pos_1_1proton1acetonitrile,240.063388104,RRGYKMGILZUEMN,Shikimates and Phenylpropanoids,,,Croton hieronymi,3913472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton hieronymi'],6,1,6.5
2391,4537,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SJHDMNYCOUCGPR-UHFFFAOYSA-N,"InChI=1S/C17H18O2/c1-10-4-6-14-13(11(10)2)7-5-12-8-17(19-3)16(18)9-15(12)14/h4,6,8-9,18H,5,7H2,1-3H3",COc1cc2c(cc1O)-c1ccc(C)c(C)c1CC2,C17H18O2,pos_2MFe,254.130679816,SJHDMNYCOUCGPR,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Sagotia racemosa,362813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Sagotia'],['Sagotia racemosa'],6,1,6.5
2392,4536,1086,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7679032,ISDB,TZLBIEKHFHDXHJ-NWDGAFQWSA-N,"InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12+/m0/s1",COc1cc2c(cc1C)[C@H](C(C)C)CC[C@H]2C(=O)O,C16H22O3,,262.156894564,TZLBIEKHFHDXHJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca grandiflora,3898467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,8.57161283493042
2393,4536,1086,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7679032,ISDB,TZLBIEKHFHDXHJ-RYUDHWBXSA-N,"InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12-/m0/s1",COc1cc2c(cc1C)[C@H](C(C)C)CC[C@@H]2C(=O)O,C16H22O3,,262.156894564,TZLBIEKHFHDXHJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca subaxillaris,206813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,8.57161283493042
2394,4535,1506,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.47337204,ISDB,HKCYZTKHPLJZDR-UHFFFAOYSA-N,"InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)",CC(O)C(=O)C1CNc2[nH]c(=N)nc(O)c2N1,C9H13N5O3,,239.101839276,HKCYZTKHPLJZDR,Alkaloids,Pseudoalkaloids,,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,1,4.393488168716431
2395,4531,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1sodium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
2396,4531,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1sodium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea acaulis,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,0,7.0
2397,4531,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-OSLXHZNNSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12-,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C17H20O5,pos_1_1sodium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
2398,4531,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-VNAATALASA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3/t11-,12+,13-,14-,15+,16+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3C(=C)C[C@@H](O)[C@@H]12,C17H20O5,pos_1_1sodium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kandavanensis,785659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kandavanensis'],7,0,7.0
2399,4531,-1,,,,0.0,MS1_match,ZOQZWYXGJUDJFV-UHFFFAOYSA-N,"InChI=1S/C17H20O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h11-16,19H,1-3,5-6H2,4H3",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(OC(C)=O)CC12,C17H20O5,pos_1_1sodium,304.13107374,ZOQZWYXGJUDJFV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea nicolai,7613260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nicolai'],7,0,7.0
2400,4530,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9700153,ISDB,IPOLTUVFXFHAHI-SEYXRHQNSA-N,"InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-",CCCCCCCC/C=C\CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C25H47NO4,,425.350508984,IPOLTUVFXFHAHI,Fatty acids,Fatty esters,Fatty acyl carnitines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,9.380061149597168
2401,4529,334,Terpenoids,Triterpenoids,Cholestane steroids,0.42045426,ISDB,SVHAKFJIIYNECQ-UNMGPXMVSA-N,"InChI=1S/C29H48O4/c1-24(2)11-13-29(16-24)14-12-27(5)18(22(29)32)7-8-21-25(3)15-19(31)23(33)26(4,17-30)20(25)9-10-28(21,27)6/h7,19-23,30-33H,8-17H2,1-6H3/t19-,20-,21-,22-,23+,25+,26+,27-,28-,29+/m1/s1",CC1(C)CC[C@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2O)C1,C29H48O4,,460.355260016,SVHAKFJIIYNECQ,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phlomoides umbrosa,7054124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomoides'],['Phlomoides umbrosa'],5,2,7.681817054748535
2402,4528,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.27946228,ISDB,,,,,,,ZYHCZHIJBQGRNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1178491115570068
2403,4527,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6928774,ISDB,UXMMIMGEKFYPFK-UHFFFAOYSA-N,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCC#CCCCCC(=O)O,C18H26O2,,274.193280072,UXMMIMGEKFYPFK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Dicranum scoparium,195712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Dicranales'],['Dicranaceae'],['Unknown'],['Dicranum'],['Dicranum scoparium'],1,3,5.271509647369385
2404,4526,-1,,,,0.0,MS1_match,RDFLLVCQYHQOBU-ZOTFFYTFSA-O,"InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O16+,pos_1_1sodium,611.16066133209,RDFLLVCQYHQOBU,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2405,4526,-1,,,,0.0,MS1_match,ZLPSOQFIIQIIAX-HUCDLMPTSA-N,"InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13+,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O16,pos_1_1sodium,610.15338488,ZLPSOQFIIQIIAX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2406,4526,-1,,,,0.0,MS1_match,ZLPSOQFIIQIIAX-HUCDLMPTSA-N,"InChI=1S/C27H30O16/c28-5-12-17(33)21(37)23(39)26(42-12)15-19(35)14-10(32)4-11(7-1-2-8(30)9(31)3-7)41-25(14)16(20(15)36)27-24(40)22(38)18(34)13(6-29)43-27/h1-4,12-13,17-18,21-24,26-31,33-40H,5-6H2/t12-,13+,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O16,pos_1_1sodium,610.15338488,ZLPSOQFIIQIIAX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2407,4526,-1,,,,0.0,MS1_match,OQKYVRDRDIXQMK-KETMJRJWSA-N,"InChI=1S/C27H30O16/c28-6-15-19(33)22(36)24(38)26(41-15)18-14(42-27-25(39)23(37)20(34)16(7-29)43-27)5-13-17(21(18)35)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O16,pos_1_1sodium,610.15338488,OQKYVRDRDIXQMK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2408,4526,-1,,,,0.0,MS1_match,PLKUTZNSKRWCCA-NQWUONRPSA-O,"InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21-,22-,23-,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H31O16+,pos_1_1sodium,611.16066133209,PLKUTZNSKRWCCA,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2409,4523,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.39780203,ISDB,LSHJORFPRQVMOA-TUMKRPRASA-N,"InChI=1S/C25H26O14/c26-6-16-20(33)24(39-25-22(35)19(32)13(31)7-36-25)23(38-16)18-12(30)5-15-17(21(18)34)11(29)4-14(37-15)8-1-2-9(27)10(28)3-8/h1-5,13,16,19-20,22-28,30-35H,6-7H2/t13-,16-,19+,20-,22-,23-,24+,25+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C25H26O14,,550.132255512,LSHJORFPRQVMOA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sasa cernua,429794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Sasa'],['Sasa cernua'],4,3,7.091208100318909
2410,4522,-1,,,,0.0,MS1_match,ZLSPFPMOZWBGKH-UHFFFAOYSA-O,"InChI=1S/C15H21NO5/c1-16(2,3)10-15(19)21-14(18)8-6-11-5-7-12(17)13(9-11)20-4/h5-9,15,19H,10H2,1-4H3/p+1",COc1cc(C=CC(=O)OC(O)C[N+](C)(C)C)ccc1O,C15H22NO5+,pos_1_1sodium,296.14924922409,ZLSPFPMOZWBGKH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2411,4522,-1,,,,0.0,MS1_match,NGFMICBWJRZIBI-UJPOAAIJSA-N,"InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1",OCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H18O7,pos_1_1proton1methanol,286.105252916,NGFMICBWJRZIBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2412,4521,-1,,,,0.0,MS1_match,LSBHOHCINQFSLQ-ZPTDNNSVSA-N,"InChI=1S/C17H24O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,12,15-16H,4,6-8,10H2,1-3H3/b11-5+,14-9-/t12-,15-,16+/m0/s1",CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C17H24O4,pos_1_1sodium,292.167459248,LSBHOHCINQFSLQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
2413,4519,-1,,,,0.0,MS1_match,VQHSOMBJVWLPSR-WUJBLJFYSA-N,"InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1",OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO,C12H24O11,pos_2MHNH3,344.131861588,VQHSOMBJVWLPSR,Carbohydrates,Saccharides,Disaccharides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2414,4519,-1,,,,0.0,MS1_match,DHDHJYNTEFLIHY-UHFFFAOYSA-N,InChI=1S/C24H16N2/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18/h1-16H,c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1,C24H16N2,pos_2MHCH3CN,332.131348512,DHDHJYNTEFLIHY,Alkaloids,Anthranilic acid alkaloids,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2415,4518,-1,,,,0.406991,ISDB,AHRLVMHWPCQOGN-FHWLQOOXSA-N,"InChI=1S/C19H37NO2/c1-16(21)12-10-8-6-4-5-7-9-11-13-18-14-15-19(22)17(2)20(18)3/h17-19,22H,4-15H2,1-3H3/t17-,18-,19-/m0/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@H](C)N1C,C19H37NO2,,311.282429424,AHRLVMHWPCQOGN,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Prosopis ruscifolia,66196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis ruscifolia'],1,0,2.6279640197753906
2416,4518,-1,,,,0.406991,ISDB,AHRLVMHWPCQOGN-FHWLQOOXSA-N,"InChI=1S/C19H37NO2/c1-16(21)12-10-8-6-4-5-7-9-11-13-18-14-15-19(22)17(2)20(18)3/h17-19,22H,4-15H2,1-3H3/t17-,18-,19-/m0/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@H](C)N1C,C19H37NO2,,311.282429424,AHRLVMHWPCQOGN,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Prosopis vinalillo,587078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis vinalillo'],1,0,2.6279640197753906
2417,4518,-1,,,,0.406991,ISDB,AHRLVMHWPCQOGN-FHWLQOOXSA-N,"InChI=1S/C19H37NO2/c1-16(21)12-10-8-6-4-5-7-9-11-13-18-14-15-19(22)17(2)20(18)3/h17-19,22H,4-15H2,1-3H3/t17-,18-,19-/m0/s1",CC(=O)CCCCCCCCCC[C@H]1CC[C@H](O)[C@H](C)N1C,C19H37NO2,,311.282429424,AHRLVMHWPCQOGN,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Prosopis nigra,66213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis nigra'],1,0,2.6279640197753906
2418,4517,119,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2419,4515,-1,,,,0.0,MS1_match,OUSLYTBGQGKTME-UHFFFAOYSA-N,"InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2",O=C1C(OC2OC(CO)C(O)C(O)C2O)Oc2ccccc2N1O,C14H17NO9,pos_1_1sodium,343.090331124,OUSLYTBGQGKTME,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2420,4514,-1,,,,0.0,MS1_match,XGBLAAVKNYADBQ-XBYPWPIDSA-N,"InChI=1S/C21H32O8/c1-10(19(26)27)12-4-6-21(3)7-5-14(11(2)13(21)8-12)28-20-18(25)17(24)16(23)15(9-22)29-20/h12-18,20,22-25H,1-2,4-9H2,3H3,(H,26,27)/t12-,13+,14+,15-,16-,17+,18-,20-,21+/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2C1,C21H32O8,pos_1_1proton1ammonium,412.209717984,XGBLAAVKNYADBQ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
2421,4514,-1,,,,0.0,MS1_match,NEXSBALMSXZOLS-MRJURFKTSA-N,"InChI=1S/C21H32O8/c1-11-4-3-5-13(6-7-14-12(2)20(26)28-15(14)8-11)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12,14-19,21-25H,3-4,6-7,9-10H2,1-2H3/b11-8+,13-5-/t12-,14-,15+,16-,17-,18+,19-,21-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C/CC1,C21H32O8,pos_1_1proton1ammonium,412.209717984,NEXSBALMSXZOLS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Hirtellina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
2422,4514,-1,,,,0.0,MS1_match,NEXSBALMSXZOLS-MRJURFKTSA-N,"InChI=1S/C21H32O8/c1-11-4-3-5-13(6-7-14-12(2)20(26)28-15(14)8-11)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h5,8,12,14-19,21-25H,3-4,6-7,9-10H2,1-2H3/b11-8+,13-5-/t12-,14-,15+,16-,17-,18+,19-,21-/m0/s1",C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C/CC1,C21H32O8,pos_1_1proton1ammonium,412.209717984,NEXSBALMSXZOLS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Staehelina fruticosa,1068541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Staehelina'],['Staehelina fruticosa'],7,0,7.0
2423,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MRMWRWJVPXDMEJ-UHFFFAOYSA-N,"InChI=1S/C14H16O4/c1-9(2)3-6-11-12(15)7-4-10(14(11)18)5-8-13(16)17/h3-5,7-8,15,18H,6H2,1-2H3,(H,16,17)",CC(C)=CCc1c(O)ccc(C=CC(=O)O)c1O,C14H16O4,pos_1_1proton1ethylamine,248.104858992,MRMWRWJVPXDMEJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis linearis,7600010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis linearis'],6,3,7.5
2424,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WIONBNBDOOYIGS-ALEWDTKOSA-N,"InChI=1S/C14H16O4/c1-10(9-15)2-5-12-8-11(3-6-13(12)16)4-7-14(17)18/h2-4,6-8,15-16H,5,9H2,1H3,(H,17,18)/b7-4+,10-2+",C/C(=C\Cc1cc(/C=C/C(=O)O)ccc1O)CO,C14H16O4,pos_1_1proton1ethylamine,248.104858992,WIONBNBDOOYIGS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],6,3,7.5
2425,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,STXAPFNADPYWQD-PHFMIZANSA-N,"InChI=1S/C16H20O4/c1-5-12(2)11-20-16-14(18-3)9-13(7-6-8-17)10-15(16)19-4/h6-11H,5H2,1-4H3/b7-6+,12-11+",CC/C(C)=C/Oc1c(OC)cc(/C=C/C=O)cc1OC,C16H20O4,pos_1_1proton1ammonium,276.13615912,STXAPFNADPYWQD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ligularia nelumbifolia,896803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia nelumbifolia'],6,3,7.5
2426,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DQSMLWPDCOLWCU-BTCMVDHLSA-N,"InChI=1S/C16H20O4/c1-3-4-5-6-11-20-16(18)10-8-13-7-9-14(17)15(12-13)19-2/h4-5,7-10,12,17H,3,6,11H2,1-2H3/b5-4-,10-8+",CC/C=C\CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C16H20O4,pos_1_1proton1ammonium,276.13615912,DQSMLWPDCOLWCU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pteronia paniculata,7599757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pteronia'],['Pteronia paniculata'],6,3,7.5
2427,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LSWIQAFXJMEWTA-WDNXFHRVSA-N,"InChI=1S/C16H20O4/c1-5-12(2)16(17)20-10-6-7-13-8-9-14(18-3)15(11-13)19-4/h5-9,11H,10H2,1-4H3/b7-6+,12-5+",C/C=C(\C)C(=O)OC/C=C/c1ccc(OC)c(OC)c1,C16H20O4,pos_1_1proton1ammonium,276.13615912,LSWIQAFXJMEWTA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Senecio colaminus,7609051.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio colaminus'],6,3,7.5
2428,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LSWIQAFXJMEWTA-UHFFFAOYSA-N,"InChI=1S/C16H20O4/c1-5-12(2)16(17)20-10-6-7-13-8-9-14(18-3)15(11-13)19-4/h5-9,11H,10H2,1-4H3",CC=C(C)C(=O)OCC=Cc1ccc(OC)c(OC)c1,C16H20O4,pos_1_1proton1ammonium,276.13615912,LSWIQAFXJMEWTA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ligularia veitchiana,240222.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia veitchiana'],6,3,7.5
2429,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MBVNGKCANVTTFZ-UHFFFAOYSA-N,"InChI=1S/C16H20O4/c1-12(11-17)4-7-14-10-13(5-8-15(14)19-2)6-9-16(18)20-3/h4-6,8-10,17H,7,11H2,1-3H3",COC(=O)C=Cc1ccc(OC)c(CC=C(C)CO)c1,C16H20O4,pos_1_1proton1ammonium,276.13615912,MBVNGKCANVTTFZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia xanthochroa,719387.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia xanthochroa'],6,3,7.5
2430,4512,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FMRWLSIFAAUVQU-QGHYKFKQSA-N,"InChI=1S/C16H20O4/c1-16(2,18)10-9-13-11-12(5-7-14(13)19-3)6-8-15(17)20-4/h5-11,18H,1-4H3/b8-6+,10-9+",COC(=O)/C=C/c1ccc(OC)c(/C=C/C(C)(C)O)c1,C16H20O4,pos_1_1proton1ammonium,276.13615912,FMRWLSIFAAUVQU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Werneria nubigena,63655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Werneria'],['Werneria nubigena'],6,3,7.5
2431,4510,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6986139,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.294455528259277
2432,4510,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6986139,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.294455528259277
2433,4509,1059,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.40903136,ISDB,FCMSAPXDFYCBGJ-PWJLMRLQSA-N,"InChI=1S/C16H20O4/c1-8-6-5-7-10-11(8)9(2)12-14(13(10)19-4)20-15(17)16(12,3)18/h8,18H,5-7H2,1-4H3/t8-,16-/m0/s1",COc1c2c(c(C)c3c1OC(=O)[C@@]3(C)O)[C@@H](C)CCC2,C16H20O4,,276.13615912,FCMSAPXDFYCBGJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Psacalium radulifolium,6056988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Psacalium'],['Psacalium radulifolium'],4,3,7.136125445365906
2434,4508,-1,,,,0.5259786,ISDB,,,,,,,KLLQLTOWUDOWNU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.103914499282837
2435,4507,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RZVHIXYEVGDQDX-UHFFFAOYSA-N,InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H,O=C1c2ccccc2C(=O)c2ccccc21,C14H8O2,pos_2_2proton2acetonitrile,208.052429496,RZVHIXYEVGDQDX,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Dianthus superbus,432192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus superbus'],6,0,6.0
2436,4504,-1,,,,0.0,MS1_match,NZGWDASTMWDZIW-MRVPVSSYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",CC(C)=C1CC[C@@H](C)CC1=O,C10H16O,pos_2MH,152.120115132,NZGWDASTMWDZIW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2437,4504,-1,,,,0.0,MS1_match,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,pos_2MH,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2438,4504,-1,,,,0.0,MS1_match,DSSYKIVIOFKYAU-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",CC12CCC(CC1=O)C2(C)C,C10H16O,pos_2MH,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2439,4504,-1,,,,0.0,MS1_match,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,pos_2MH,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2440,4504,-1,,,,0.0,MS1_match,WTEVQBCEXWBHNA-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",CC(C)=CCCC(C)=CC=O,C10H16O,pos_2MH,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2441,4499,544,Carbohydrates,Polyols,Amino cyclitols,0.0,MS1_match,DXLUNIWVHZZSPK-WDCZJNDASA-N,"InChI=1S/C6H11NO2/c1-3-4(2)9-6(8)5(3)7/h3-5H,7H2,1-2H3/t3-,4-,5+/m1/s1",C[C@H]1[C@H](N)C(=O)O[C@@H]1C,C6H11NO2,pos_1_1proton1methanol,129.078978592,DXLUNIWVHZZSPK,,,,Quararibea funebris,5762173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Quararibea'],['Quararibea funebris'],6,0,6.0
2442,4495,464,Terpenoids,Steroids,Ergostane steroids,0.4234823,ISDB,RDBOKLTXJDYSFQ-ABMOCFRJSA-N,"InChI=1S/C27H40/c1-18(2)9-8-10-19(3)25-13-14-26-24-17-21-11-6-7-12-22(21)20(4)23(24)15-16-27(25,26)5/h6,11,17-19,25-26H,7-10,12-16H2,1-5H3/t19-,25-,26+,27-/m1/s1",Cc1c2c(cc3c1CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]31)C=CCC2,C27H40,,364.31300128,RDBOKLTXJDYSFQ,Terpenoids,Steroids,Ergostane steroids,Ixodes ricinus,493144.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Ixodida'],['Ixodidae'],['Unknown'],['Ixodes'],['Ixodes ricinus'],2,3,5.193929195404053
2443,4494,74,Amino acids and Peptides,Small peptides,Aminoacids,0.89616376,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],6,3,11.084655046463013
2444,4494,74,Amino acids and Peptides,Small peptides,Aminoacids,0.89616376,ISDB,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],6,3,11.084655046463013
2445,4493,857,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,WLVZTRYJBHPIOC-TWZSDASFSA-N,"InChI=1S/C46H74O18/c1-18-10-13-46(64-40(18)56-7)19(2)30-27(63-46)15-26-24-9-8-22-14-23(11-12-44(22,5)25(24)16-29(48)45(26,30)6)59-43-39(62-42-36(54)34(52)32(50)21(4)58-42)37(55)38(28(17-47)60-43)61-41-35(53)33(51)31(49)20(3)57-41/h8,18-21,23-43,47-55H,9-17H2,1-7H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40-,41+,42+,43-,44+,45-,46+/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C46H74O18,pos_2_1proton1sodium,914.487515528,WLVZTRYJBHPIOC,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,3,9.5
2446,4493,857,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KNFFNNXVQUAVOB-DZWUJCGASA-N,"InChI=1S/C46H74O18/c1-19-10-15-45(64-39(19)56-7)22(4)46(55)29(63-45)17-27-25-9-8-23-16-24(11-13-43(23,5)26(25)12-14-44(27,46)6)59-42-38(62-41-35(53)33(51)31(49)21(3)58-41)36(54)37(28(18-47)60-42)61-40-34(52)32(50)30(48)20(2)57-40/h8,19-22,24-42,47-55H,9-18H2,1-7H3/t19-,20+,21+,22-,24+,25-,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C46H74O18,pos_2_1proton1sodium,914.487515528,KNFFNNXVQUAVOB,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5
2447,4493,857,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,KNFFNNXVQUAVOB-DZWUJCGASA-N,"InChI=1S/C46H74O18/c1-19-10-15-45(64-39(19)56-7)22(4)46(55)29(63-45)17-27-25-9-8-23-16-24(11-13-43(23,5)26(25)12-14-44(27,46)6)59-42-38(62-41-35(53)33(51)31(49)21(3)58-41)36(54)37(28(18-47)60-42)61-40-34(52)32(50)30(48)20(2)57-40/h8,19-22,24-42,47-55H,9-18H2,1-7H3/t19-,20+,21+,22-,24+,25-,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C46H74O18,pos_2_1proton1sodium,914.487515528,KNFFNNXVQUAVOB,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,3,9.5
2448,4490,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.35526386,ISDB,RETZLADXQSPAKA-UUUCTLAWSA-N,"InChI=1S/C24H36O6/c1-14-8-7-9-23(4,5)18-11-20(30-16(3)26)24(6,22(14)18)19-13-29-21(27)10-17(19)12-28-15(2)25/h17-20,22H,1,7-13H2,2-6H3/t17-,18?,19+,20-,22?,24+/m0/s1",C=C1CCCC(C)(C)C2C[C@H](OC(C)=O)[C@@](C)([C@@H]3COC(=O)C[C@H]3COC(C)=O)C12,C24H36O6,,420.251188872,RETZLADXQSPAKA,Terpenoids,Diterpenoids,Labdane diterpenoids,Goniobranchus gleniei,2875398.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Chromodorididae'],['Unknown'],['Goniobranchus'],['Goniobranchus gleniei'],4,3,6.921055436134338
2449,4488,510,Fatty acids,Fatty acyls,Fatty alcohols,0.3257282,ISDB,QZOMSTWCVSLZGH-UHFFFAOYSA-N,"InChI=1S/C22H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,18-19,23H,5-10,15-17,22H2",C#CC=CCCCCCCC#CC#CCCCC=CC#CCO,C22H26O,,306.198365452,QZOMSTWCVSLZGH,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.8029128313064575
2450,4478,590,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FMMYTMPRUGLGBL-SCQFTWEKSA-N,"InChI=1S/C5H7NO4/c7-3-1-2(5(9)10)6-4(3)8/h2-3,7H,1H2,(H,6,8)(H,9,10)/t2-,3?/m0/s1",O=C1N[C@H](C(=O)O)CC1O,C5H7NO4,pos_1_1proton1ammonium,145.037507704,FMMYTMPRUGLGBL,Amino acids and Peptides,Small peptides,Aminoacids,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],7,3,8.5
2451,4477,396,Alkaloids,Ornithine alkaloids,Polyamines,0.6186904,ISDB,QYBCBMVQSCJMSA-UHFFFAOYSA-N,"InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)",O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1,C25H31N3O4,,437.231456472,QYBCBMVQSCJMSA,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra tetragona,490871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra tetragona'],5,3,8.974761486053467
2452,4477,396,Alkaloids,Ornithine alkaloids,Polyamines,0.6186904,ISDB,QYBCBMVQSCJMSA-UHFFFAOYSA-N,"InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)",O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1,C25H31N3O4,,437.231456472,QYBCBMVQSCJMSA,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra arborea,490871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra tetragona'],5,3,8.974761486053467
2453,4477,396,Alkaloids,Ornithine alkaloids,Polyamines,0.6186904,ISDB,QYBCBMVQSCJMSA-UHFFFAOYSA-N,"InChI=1S/C25H31N3O4/c29-22-10-4-20(5-11-22)8-14-24(31)27-18-2-1-16-26-17-3-19-28-25(32)15-9-21-6-12-23(30)13-7-21/h4-15,26,29-30H,1-3,16-19H2,(H,27,31)(H,28,32)",O=C(C=Cc1ccc(O)cc1)NCCCCNCCCNC(=O)C=Cc1ccc(O)cc1,C25H31N3O4,,437.231456472,QYBCBMVQSCJMSA,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra chamissoniana,5801368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra chamissoniana'],5,3,8.974761486053467
2454,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,3,7.5
2455,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,3,7.5
2456,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,3,7.5
2457,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,7.5
2458,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,3,7.5
2459,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,3,7.5
2460,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,3,7.5
2461,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,3,7.5
2462,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,7.5
2463,4475,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,3,7.5
2464,4468,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.26423284,ISDB,WKDBZTLJGGVOGW-WDPAYILQSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32-/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Cucumaria frondosa,478655.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Cucumaria'],['Cucumaria frondosa'],2,3,4.556931376457214
2465,4468,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.26423284,ISDB,WKDBZTLJGGVOGW-VDZAXMOLSA-N,"InChI=1S/C32H50O5/c1-19(2)10-9-15-31(8)26-23(36-20(3)33)18-30(7)22-11-12-24-28(4,5)25(34)14-16-29(24,6)21(22)13-17-32(26,30)27(35)37-31/h11,19,21,23-26,34H,9-10,12-18H2,1-8H3/t21-,23-,24+,25+,26-,29-,30+,31+,32?/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CCC23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13,C32H50O5,,514.3658247,WKDBZTLJGGVOGW,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Pseudocnus koellikeri,3652909.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Dendrochirotida'],['Cucumariidae'],['Unknown'],['Pseudocnus'],['Pseudocnus koellikeri'],2,3,4.556931376457214
2466,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
2467,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2468,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2469,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
2470,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
2471,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
2472,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-NUUCXFROSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14-,15+,17-/m0/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
2473,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
2474,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
2475,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
2476,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
2477,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2478,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2479,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
2480,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-CZZVJJMOSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3-/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.1420323479999,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
2481,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
2482,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
2483,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2484,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
2485,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
2486,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
2487,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-NUUCXFROSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14-,15+,17-/m0/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
2488,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
2489,4467,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1sodium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
2490,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],7,3,8.5
2491,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],7,3,8.5
2492,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],7,3,8.5
2493,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],7,3,8.5
2494,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],7,3,8.5
2495,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],7,3,8.5
2496,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],7,3,8.5
2497,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,3,8.5
2498,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paederota lutea,79010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Paederota'],['Paederota lutea'],7,3,8.5
2499,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,3,8.5
2500,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,3,8.5
2501,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],7,3,8.5
2502,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],7,3,8.5
2503,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],7,3,8.5
2504,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],7,3,8.5
2505,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BVBJSLWZAPVJKX-RTFRMLQUSA-N,"InChI=1S/C22H26O13/c23-6-12-15(27)16(28)17(29)21(33-12)34-20-13-9(3-4-31-20)14(26)18-22(13,35-18)7-32-19(30)8-1-2-10(24)11(25)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14+,15-,16+,17-,18+,20+,21+,22-/m1/s1",O=C(OC[C@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,BVBJSLWZAPVJKX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],7,3,8.5
2506,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPLOCWOFCUFHBG-PIAIVMLOSA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)35-19-11-5-6-33-22(15(11)24(9-26)20(19)37-24)36-23-18(29)17(28)16(27)14(8-25)34-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16-,17+,18-,19+,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1OC,C24H30O13,pos_1_1proton1ammonium,526.1686410199999,JPLOCWOFCUFHBG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,3,8.5
2507,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPLOCWOFCUFHBG-PIAIVMLOSA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)35-19-11-5-6-33-22(15(11)24(9-26)20(19)37-24)36-23-18(29)17(28)16(27)14(8-25)34-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16-,17+,18-,19+,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1OC,C24H30O13,pos_1_1proton1ammonium,526.1686410199999,JPLOCWOFCUFHBG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],7,3,8.5
2508,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPLOCWOFCUFHBG-PIAIVMLOSA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)35-19-11-5-6-33-22(15(11)24(9-26)20(19)37-24)36-23-18(29)17(28)16(27)14(8-25)34-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16-,17+,18-,19+,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1OC,C24H30O13,pos_1_1proton1ammonium,526.1686410199999,JPLOCWOFCUFHBG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],7,3,8.5
2509,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,3,8.5
2510,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],7,3,8.5
2511,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],7,3,8.5
2512,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],7,3,8.5
2513,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],7,3,8.5
2514,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],7,3,8.5
2515,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],7,3,8.5
2516,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,3,8.5
2517,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],7,3,8.5
2518,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],7,3,8.5
2519,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],7,3,8.5
2520,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],7,3,8.5
2521,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],7,3,8.5
2522,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],7,3,8.5
2523,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,3,8.5
2524,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paederota lutea,79010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Paederota'],['Paederota lutea'],7,3,8.5
2525,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,3,8.5
2526,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,3,8.5
2527,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],7,3,8.5
2528,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],7,3,8.5
2529,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],7,3,8.5
2530,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],7,3,8.5
2531,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ethylamine,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],7,3,8.5
2532,4466,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZSVGHBSAINKGKE-SHBGZVEESA-N,"InChI=1S/C24H30O13/c1-31-12-4-3-10(7-13(12)32-2)21(30)34-9-24-15-11(16(26)20(24)37-24)5-6-33-22(15)36-23-19(29)18(28)17(27)14(8-25)35-23/h3-7,11,14-20,22-23,25-29H,8-9H2,1-2H3/t11-,14-,15-,16+,17-,18+,19-,20+,22+,23+,24-/m1/s1",COc1ccc(C(=O)OC[C@]23O[C@H]2[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]23)cc1OC,C24H30O13,pos_1_1proton1ammonium,526.1686410199998,ZSVGHBSAINKGKE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],7,3,8.5
2533,4462,-1,,,,0.0,MS1_match,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,pos_2MH,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2534,4461,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.43218613,ISDB,OPZVPQVONVBYTF-UHFFFAOYSA-N,"InChI=1S/C13H19NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-3,6-7,12-15H,4-5,8-10H2",OC(CC1CCCCN1)c1ccccc1,C13H19NO,,205.146664228,OPZVPQVONVBYTF,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum acre,387652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum acre'],4,3,7.2287445068359375
2535,4461,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.43218613,ISDB,OPZVPQVONVBYTF-UHFFFAOYSA-N,"InChI=1S/C13H19NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-3,6-7,12-15H,4-5,8-10H2",OC(CC1CCCCN1)c1ccccc1,C13H19NO,,205.146664228,OPZVPQVONVBYTF,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum lancerottense,134391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum lancerottense'],4,3,7.2287445068359375
2536,4461,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.43218613,ISDB,OPZVPQVONVBYTF-UHFFFAOYSA-N,"InChI=1S/C13H19NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-3,6-7,12-15H,4-5,8-10H2",OC(CC1CCCCN1)c1ccccc1,C13H19NO,,205.146664228,OPZVPQVONVBYTF,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum fusiforme,134402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum fusiforme'],4,3,7.2287445068359375
2537,4461,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.43218613,ISDB,OPZVPQVONVBYTF-UHFFFAOYSA-N,"InChI=1S/C13H19NO/c15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-14-12/h1-3,6-7,12-15H,4-5,8-10H2",OC(CC1CCCCN1)c1ccccc1,C13H19NO,,205.146664228,OPZVPQVONVBYTF,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lobelia inflata,618368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia inflata'],4,3,7.2287445068359375
2538,4457,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5146804,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.558721542358398
2539,4457,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5146804,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.558721542358398
2540,4457,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5146804,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.558721542358398
2541,4456,1066,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.78282374,ISDB,YSANDRPLTYFXMF-LYGKUDJVSA-N,"InChI=1S/C20H30O2/c1-14-6-10-20-13-18(20,2)8-4-5-16(20)19(14,3)9-7-15-11-17(21)22-12-15/h11,14,16H,4-10,12-13H2,1-3H3/t14-,16-,18+,19+,20+/m1/s1",C[C@@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1,C20H30O2,,302.2245802,YSANDRPLTYFXMF,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Cystodytes,296453.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polycitoridae'],['Unknown'],['Cystodytes'],['Unknown'],2,3,6.6312949657440186
2542,4450,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1potassium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
2543,4450,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1potassium,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
2544,4438,414,Alkaloids,Ornithine alkaloids,Polyamines,0.42574778,ISDB,IAPAGQSYAHFLDX-UHFFFAOYSA-N,"InChI=1S/C23H40N6O4/c24-9-4-11-25-10-1-2-13-28(32)15-6-16-29(33)14-5-12-26-23(31)18-19-17-20-21(27-19)7-3-8-22(20)30/h3,7-8,17,25,27,30,32-33H,1-2,4-6,9-16,18,24H2,(H,26,31)",NCCCNCCCCN(O)CCCN(O)CCCNC(=O)Cc1cc2c(O)cccc2[nH]1,C23H40N6O4,,464.31110376,IAPAGQSYAHFLDX,Alkaloids,Ornithine alkaloids,Polyamines,Agelenopsis aperta,725349.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Araneae'],['Agelenidae'],['Unknown'],['Agelenopsis'],['Agelenopsis aperta'],2,3,5.2029911279678345
2545,4437,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)",NCCCCNC(=O)C=Cc1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.517880439758301
2546,4437,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.517880439758301
2547,4437,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.517880439758301
2548,4436,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2549,4436,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2550,4436,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2551,4436,-1,,,,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_1_1proton,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2552,4436,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_1_1proton,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2553,4434,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZJXFDQVVYBKPMA-YJFYXXRUSA-N,"InChI=1S/C22H32O4/c1-7-14(2)9-10-17-15(3)18(26-16(4)23)13-19-21(17,5)11-8-12-22(19,6)20(24)25/h7,9,17-19H,1,3,8,10-13H2,2,4-6H3,(H,24,25)/b14-9+/t17-,18+,19+,21+,22-/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)[C@H](OC(C)=O)C[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O,C22H32O4,pos_1_minus1proton1iron,360.230059504,ZJXFDQVVYBKPMA,Terpenoids,Diterpenoids,Labdane diterpenoids,Chromolaena collina,698957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena collina'],6,3,7.5
2554,4434,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JUJWZGSOPFTUIW-YHINDDMVSA-N,"InChI=1S/C22H32O4/c1-15-18(7-6-17-8-11-25-13-17)22(4)10-5-9-21(3,14-23)20(22)12-19(15)26-16(2)24/h8,11,13,18-20,23H,1,5-7,9-10,12,14H2,2-4H3/t18-,19+,20-,21-,22+/m1/s1",C=C1[C@@H](OC(C)=O)C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]1CCc1ccoc1,C22H32O4,pos_1_minus1proton1iron,360.230059504,JUJWZGSOPFTUIW,Terpenoids,Diterpenoids,Labdane diterpenoids,Austroeupatorium chaparense,7602841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Austroeupatorium'],['Austroeupatorium chaparense'],6,3,7.5
2555,4434,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,PAXVPBKYCURYQJ-WKDRNLAYSA-N,"InChI=1S/C22H32O4/c1-15-6-9-19-21(3,14-26-16(2)23)10-5-11-22(19,4)18(15)8-7-17-12-20(24)25-13-17/h12,18-19H,1,5-11,13-14H2,2-4H3/t18-,19-,21+,22+/m1/s1",C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1,C22H32O4,pos_1_minus1proton1iron,360.230059504,PAXVPBKYCURYQJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Leiocarpa semicalva,5784671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Leiocarpa'],['Leiocarpa semicalva'],6,3,7.5
2556,4434,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,PAXVPBKYCURYQJ-WKDRNLAYSA-N,"InChI=1S/C22H32O4/c1-15-6-9-19-21(3,14-26-16(2)23)10-5-11-22(19,4)18(15)8-7-17-12-20(24)25-13-17/h12,18-19H,1,5-11,13-14H2,2-4H3/t18-,19-,21+,22+/m1/s1",C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1,C22H32O4,pos_1_minus1proton1iron,360.230059504,PAXVPBKYCURYQJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Chrysocephalum ambiguum,7600856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Chrysocephalum'],['Chrysocephalum ambiguum'],6,3,7.5
2557,4434,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,CDYBXHABQVLJHE-AWKDEEHNSA-N,"InChI=1S/C22H32O4/c1-7-14(2)9-10-17-16(20(24)25)13-18(26-15(3)23)19-21(4,5)11-8-12-22(17,19)6/h7,9,13,17-19H,1,8,10-12H2,2-6H3,(H,24,25)/b14-9+/t17-,18+,19-,22+/m1/s1",C=C/C(C)=C/C[C@@H]1C(C(=O)O)=C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C,C22H32O4,pos_1_minus1proton1iron,360.230059504,CDYBXHABQVLJHE,Terpenoids,Diterpenoids,Labdane diterpenoids,Rutidosis murchisonii,7607694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rutidosis'],['Rutidosis murchisonii'],6,3,7.5
2558,4434,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,KIFHEGOOWBXPAC-WQIFRTTPSA-N,"InChI=1S/C22H32O4/c1-7-20(5)11-12-22(26-20)16(14-23)13-17(25-15(2)24)18-19(3,4)9-8-10-21(18,22)6/h7,13-14,17-18H,1,8-12H2,2-6H3/t17-,18+,20-,21+,22-/m1/s1",C=C[C@]1(C)CC[C@@]2(O1)C(C=O)=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C,C22H32O4,pos_1_minus1proton1iron,360.230059504,KIFHEGOOWBXPAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Haplopappus parvifolius,7599230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus parvifolius'],6,3,7.5
2559,4430,-1,,,,0.780918,ISDB,JIYAONITMKZUHD-NPJHKJLMSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8-9,11-12,14,17,19H,2-5,7,10,13,15-16H2,1H3,(H,20,21)/b8-6+,12-9+,14-11+/t17-/m0/s1",CCCCC/C=C/C=C/[C@H](O)C/C=C/CCCCC(=O)O,C18H30O3,,294.21949482,JIYAONITMKZUHD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Sinularia numerosa,684963.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia numerosa'],2,0,5.123672008514404
2560,4429,-1,,,,0.0,MS1_match,JQVANXRIXMMSKB-LXZIDKIQSA-N,"InChI=1S/C27H34O4/c1-16-11-12-20-21(26(20,4)5)14-17(2)24(29)27(15-18(3)23(28)22(27)13-16)31-25(30)19-9-7-6-8-10-19/h6-10,13-14,18,20-23,28H,11-12,15H2,1-5H3/b16-13+,17-14+/t18-,20-,21+,22-,23-,27+/m0/s1",C/C1=C\[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(=O)c2ccccc2)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C,C27H34O4,pos_1_1proton,422.245709568,JQVANXRIXMMSKB,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
2561,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium rhinoceros,7052078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium rhinoceros'],7,2,8.0
2562,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,2,8.0
2563,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea gossypiphora,745641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea gossipiphora'],7,2,8.0
2564,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea glomerata,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,2,8.0
2565,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,2,8.0
2566,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,2,8.0
2567,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
2568,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,2,8.0
2569,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,2,8.0
2570,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea hyalolepis,7613104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hyalolepis'],7,2,8.0
2571,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea pallescens,49202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pallescens'],7,2,8.0
2572,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,2,8.0
2573,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,2,8.0
2574,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,2,8.0
2575,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lamyropsis cynaroides,916914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Lamyropsis'],['Lamyropsis cynaroides'],7,2,8.0
2576,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,2,8.0
2577,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium oleraceum,575510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium oleraceum'],7,2,8.0
2578,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carduus tenuiflorus,655353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus tenuiflorus'],7,2,8.0
2579,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,2,8.0
2580,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,2,8.0
2581,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,2,8.0
2582,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,2,8.0
2583,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea phrygia,888052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea phrygia'],7,2,8.0
2584,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,2,8.0
2585,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,2,8.0
2586,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea furfuracea,3894041.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea furfuracea'],7,2,8.0
2587,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,2,8.0
2588,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea orphanidea,3894141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea orphanidea'],7,2,8.0
2589,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,2,8.0
2590,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,CGVARJGGCPCIES-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-14(19)20-13-6-10(17)5-12(18)15(11)13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)c2c(O)cc(O)cc2o1,C15H10O5,pos_1_1proton,270.05282342,CGVARJGGCPCIES,Shikimates and Phenylpropanoids,Flavonoids,Neoflavonoids,Echinops niveus,234594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops niveus'],7,2,8.0
2591,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea inermis,3894049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea inermis'],7,2,8.0
2592,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea kilaea,3894029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kilaea'],7,2,8.0
2593,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea virgata,856234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea virgata'],7,2,8.0
2594,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea arenaria,5794852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea arenaria'],7,2,8.0
2595,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea derventana,7612965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea derventana'],7,2,8.0
2596,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,2,8.0
2597,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,2,8.0
2598,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,2,8.0
2599,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,2,8.0
2600,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,2,8.0
2601,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
2602,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium carolinianum,3894747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium carolinianum'],7,2,8.0
2603,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,2,8.0
2604,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carduus nutans,597709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus nutans'],7,2,8.0
2605,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea tougourensis,3894115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea tougourensis'],7,2,8.0
2606,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Echinops echinatus,963640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops echinatus'],7,2,8.0
2607,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,2,8.0
2608,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],7,2,8.0
2609,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea alexandrina,749110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alexandrina'],7,2,8.0
2610,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onopordum macrocanthum,6057219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum macrocanthum'],7,2,8.0
2611,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UMEUPGNISCZDFG-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-10-3-1-8(2-4-10)9-5-11(17)15-12(18)7-14(19)20-13(15)6-9/h1-7,16-18H",O=c1cc(O)c2c(O)cc(-c3ccc(O)cc3)cc2o1,C15H10O5,pos_1_1proton,270.05282342,UMEUPGNISCZDFG,Shikimates and Phenylpropanoids,Flavonoids,Neoflavonoids,Echinops niveus,234594.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops niveus'],7,2,8.0
2612,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,2,8.0
2613,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea amanicola,3894338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea amanicola'],7,2,8.0
2614,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,2,8.0
2615,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Amberboa ramosa,7612724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amberboa'],['Amberboa ramosa'],7,2,8.0
2616,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium japonicum,365894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium japonicum'],7,2,8.0
2617,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Volutaria crupinoides,1036515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria crupinoides'],7,2,8.0
2618,4426,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onopordum corymbosum,5144245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum corymbosum'],7,2,8.0
2619,4422,-1,,,,0.22303037,ISDB,DWPMNGYHFAAZBH-JPSRSCNUSA-N,"InChI=1S/C24H33NO3/c1-20(2)16-17-25-24(26)13-11-9-7-5-3-4-6-8-10-12-21-14-15-22-23(18-21)28-19-27-22/h7,9-15,18,20H,3-6,8,16-17,19H2,1-2H3,(H,25,26)/b9-7+,12-10+,13-11+",CC(C)CCNC(=O)/C=C/C=C/CCCCC/C=C/c1ccc2c(c1)OCO2,C24H33NO3,,383.246043916,DWPMNGYHFAAZBH,,,,Beilschmiedia zenkeri,6025612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia zenkeri'],0,0,0.8921214938163757
2620,4422,-1,,,,0.22303037,ISDB,DWPMNGYHFAAZBH-JPSRSCNUSA-N,"InChI=1S/C24H33NO3/c1-20(2)16-17-25-24(26)13-11-9-7-5-3-4-6-8-10-12-21-14-15-22-23(18-21)28-19-27-22/h7,9-15,18,20H,3-6,8,16-17,19H2,1-2H3,(H,25,26)/b9-7+,12-10+,13-11+",CC(C)CCNC(=O)/C=C/C=C/CCCCC/C=C/c1ccc2c(c1)OCO2,C24H33NO3,,383.246043916,DWPMNGYHFAAZBH,,,,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],0,0,0.8921214938163757
2621,4420,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KFEFLPDKISUVNR-QJEHNBJNSA-N,"InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO,C29H36O16,pos_1_1proton1ammonium,640.2003350719999,KFEFLPDKISUVNR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
2622,4420,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KFEFLPDKISUVNR-QJEHNBJNSA-N,"InChI=1S/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2/b6-3+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO,C29H36O16,pos_1_1proton1ammonium,640.2003350719999,KFEFLPDKISUVNR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
2623,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,0,6.0
2624,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,0,6.0
2625,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,0,6.0
2626,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MXTLAHSTUOXGQF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3",COC1=CC2=C3C=c4ccc(OC)c(OC)c4=CN3CCC2=CC1=O,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,MXTLAHSTUOXGQF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,0,6.0
2627,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,HIZKFQOZVOUKDP-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h6-9H,4-5,10H2,1-3H3",COc1cc2cc3c4c(cc5c(c4c2cc1OC)OCO5)CCN3C,C20H19NO4,pos_2_2proton1acetonitrile,337.13140808800006,HIZKFQOZVOUKDP,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium corniculatum,3944918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium corniculatum'],6,0,6.0
2628,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WJGFWJOXVNVISL-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h6-9H,4-5,10H2,1-3H3",COc1cc2c3c(cc4cc5c(cc4c3c1OC)OCO5)N(C)CC2,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,WJGFWJOXVNVISL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
2629,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WJGFWJOXVNVISL-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-21-5-4-11-7-17(22-2)20(23-3)19-13-9-16-15(24-10-25-16)8-12(13)6-14(21)18(11)19/h6-9H,4-5,10H2,1-3H3",COc1cc2c3c(cc4cc5c(cc4c3c1OC)OCO5)N(C)CC2,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,WJGFWJOXVNVISL,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
2630,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-JEOXALJRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.13140808799994,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,0,6.0
2631,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-WYRIXSBYSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m1/s1",C[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
2632,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,0,6.0
2633,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa,5727953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],6,0,6.0
2634,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-JEOXALJRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.13140808799994,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,0,6.0
2635,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-WYRIXSBYSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19+/m1/s1",C[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
2636,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,0,6.0
2637,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UKIOTQZYKUPESG-WLRWDXFRSA-N,"InChI=1S/C20H19NO4/c1-11-13-2-3-16-20(25-10-22-16)15(13)8-21-5-4-12-6-17-18(24-9-23-17)7-14(12)19(11)21/h2-3,6-7,11,19H,4-5,8-10H2,1H3/t11-,19-/m0/s1",C[C@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,UKIOTQZYKUPESG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa,5727953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],6,0,6.0
2638,4419,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FZAGOOYMTPGPGF-UHFFFAOYSA-N,"InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO4,pos_2_2proton1acetonitrile,337.131408088,FZAGOOYMTPGPGF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,0,6.0
2639,4416,44,Amino acids and Peptides,Small peptides,Aminoacids,0.7684452,ISDB,GSDBGCKBBJVPNC-UHFFFAOYSA-N,"InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)",NC(N)=NCCOP(=O)(O)OCC(N)C(=O)O,C6H15N4O6P,,270.07292083000004,GSDBGCKBBJVPNC,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,3,6.57378077507019
2640,4415,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
2641,4415,-1,,,,0.0,MS1_match,QZIOPOIUZGGXKI-KOYXEPTDSA-N,"InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,pos_1_1sodium,346.1627677919999,QZIOPOIUZGGXKI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,0,6.0
2642,4414,706,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.79453194,ISDB,UUTMDRVBLMQCDI-VAXWODBPSA-N,"InChI=1S/C16H16O6/c1-7-3-2-6-16-14(22-16)13(21-15(16)20)11-9(18)5-4-8(17)10(11)12(7)19/h3-5,12-14,17-19H,2,6H2,1H3/b7-3+/t12-,13+,14-,16-/m0/s1",C/C1=C\CC[C@]23O[C@H]2[C@H](OC3=O)c2c(O)ccc(O)c2[C@H]1O,C16H16O6,,304.094688232,UUTMDRVBLMQCDI,Terpenoids,Meroterpenoids,Meromonoterpenoids,Ampulloclitocybe clavipes,454800.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Hygrophoraceae'],['Unknown'],['Ampulloclitocybe'],['Ampulloclitocybe clavipes'],0,1,3.6781277656555176
2643,4414,706,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.79453194,ISDB,UUTMDRVBLMQCDI-VAXWODBPSA-N,"InChI=1S/C16H16O6/c1-7-3-2-6-16-14(22-16)13(21-15(16)20)11-9(18)5-4-8(17)10(11)12(7)19/h3-5,12-14,17-19H,2,6H2,1H3/b7-3+/t12-,13+,14-,16-/m0/s1",C/C1=C\CC[C@]23O[C@H]2[C@H](OC3=O)c2c(O)ccc(O)c2[C@H]1O,C16H16O6,,304.094688232,UUTMDRVBLMQCDI,Terpenoids,Meroterpenoids,Meromonoterpenoids,Clitocybe clavipes,454800.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Hygrophoraceae'],['Unknown'],['Ampulloclitocybe'],['Ampulloclitocybe clavipes'],0,1,3.6781277656555176
2644,4413,-1,,,,0.0,MS1_match,FGCBPQOUONXDAL-OVHRRVLLSA-N,"InChI=1S/C11H20O6S/c12-4-7-8(13)9(14)10(15)11(17-7)16-6-2-1-3-18-5-6/h6-15H,1-5H2/t6-,7+,8+,9-,10+,11+/m0/s1",OC[C@H]1O[C@@H](O[C@H]2CCCSC2)[C@H](O)[C@@H](O)[C@@H]1O,C11H20O6S,pos_2MK,280.09805936,FGCBPQOUONXDAL,Alkaloids,,,Eutrema salsugineum,711300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema salsugineum'],6,0,6.0
2645,4411,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,pos_1_1proton1ammonium,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
2646,4411,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,PYSGWIYWQCVFJB-KLLKFSIISA-N,"InChI=1S/C15H26O4/c1-11(2)14(17)7-6-13(4,19-11)15(18)8-5-12(3,16)10(15)9-14/h10,16-18H,5-9H2,1-4H3/t10-,12+,13-,14-,15-/m0/s1",CC1(C)O[C@@]2(C)CC[C@]1(O)C[C@H]1[C@](C)(O)CC[C@]12O,C15H26O4,pos_2_2sodium,270.183109312,PYSGWIYWQCVFJB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
2647,4411,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LAQYHRQFABOIFD-UHFFFAOYSA-N,"InChI=1S/C7H8O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4,8-9H,1H3",COc1cc(O)ccc1O,C7H8O3,pos_1_1proton1ammonium,140.047344116,LAQYHRQFABOIFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Atractylodes japonica,7052196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes japonica'],7,0,7.0
2648,4411,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WMWULFWRZYXSIW-DMTCNVIQSA-N,"InChI=1S/C5H8O3/c1-3-4(6)2-8-5(3)7/h3-4,6H,2H2,1H3/t3-,4+/m1/s1",C[C@H]1C(=O)OC[C@@H]1O,C5H8O3,pos_1_1proton1acetonitrile,116.047344116,WMWULFWRZYXSIW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
2649,4409,-1,,,,0.0,MS1_match,KVRQGMOSZKPBNS-FMHLWDFHSA-N,"InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1",C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C24H30O11,pos_1_1proton1ethylamine,494.17881178,KVRQGMOSZKPBNS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,0,6.0
2650,4409,-1,,,,0.0,MS1_match,CPHCYIDKOAOKCL-LUVHZPKESA-N,"InChI=1S/C24H30O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-7,13-14,16-23,25,27-30H,8-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccccc1)OC[C@]12O[C@H]1[C@@H](O)[C@@H]1CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C24H30O11,pos_1_1proton1ethylamine,494.17881178,CPHCYIDKOAOKCL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia trichosantha,173924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia trichosantha'],6,0,6.0
2651,4409,-1,,,,0.0,MS1_match,CPHCYIDKOAOKCL-LUVHZPKESA-N,"InChI=1S/C24H30O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-7,13-14,16-23,25,27-30H,8-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccccc1)OC[C@]12O[C@H]1[C@@H](O)[C@@H]1CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C24H30O11,pos_1_1proton1ethylamine,494.17881178,CPHCYIDKOAOKCL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia alypum,5921385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia alypum'],6,0,6.0
2652,4409,-1,,,,0.0,MS1_match,CPHCYIDKOAOKCL-LUVHZPKESA-N,"InChI=1S/C24H30O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-7,13-14,16-23,25,27-30H,8-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccccc1)OC[C@]12O[C@H]1[C@@H](O)[C@@H]1CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C24H30O11,pos_1_1proton1ethylamine,494.17881178,CPHCYIDKOAOKCL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia arabica,6072895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia arabica'],6,0,6.0
2653,4409,-1,,,,0.0,MS1_match,BRNNTXYZAIPAFB-IVFQWYFZSA-N,"InChI=1S/C24H34O11/c1-13(7-9-25)16(26)5-3-14(2)23(32)34-12-19-20(29)21(30)22(31)24(35-19)33-10-8-15-4-6-17(27)18(28)11-15/h3-4,6-7,11,16,19-22,24-31H,5,8-10,12H2,1-2H3/b13-7+,14-3+/t16-,19-,20-,21+,22-,24-/m1/s1",C/C(=C\C[C@@H](O)/C(C)=C/CO)C(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H34O11,pos_1_1proton1acetonitrile,498.210111908,BRNNTXYZAIPAFB,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
2654,4406,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.72649264,ISDB,NLDDIKRKFXEWBK-AWEZNQCLSA-N,"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1",CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,C17H26O4,,294.183109312,NLDDIKRKFXEWBK,,,,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,0,4.905970573425293
2655,4403,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],9,3,10.5
2656,4402,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.648544,ISDB,FBIPGCRLBUAKTF-UHFFFAOYSA-N,"InChI=1S/C18H28O4/c1-4-5-6-7-16(21-2)13-15(19)10-8-14-9-11-17(20)18(12-14)22-3/h9,11-12,16,20H,4-8,10,13H2,1-3H3",CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC,C18H28O4,,308.198759376,FBIPGCRLBUAKTF,Alkaloids,,,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],1,1,4.0941760540008545
2657,4401,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
2658,4401,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
2659,4401,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
2660,4401,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1proton1ammonium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
2661,4399,978,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.57379186,ISDB,IJFXRHURBJZNAO-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1cccc(O)c1,C7H6O3,,138.031694052,IJFXRHURBJZNAO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,2,10.295167446136475
2662,4398,-1,,,,0.48690742,ISDB,PAUIQDPAEDELMC-CKBMHYDUSA-N,"InChI=1S/C25H34O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,18,23,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10-,20-13+,21-11+/t23-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(/C)C=O)C(C)(C)C[C@H](O)C1,C25H34O2,,366.255880328,PAUIQDPAEDELMC,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.947629690170288
2663,4396,-1,,,,0.7426749,ISDB,,,,,,,XQXOXCCPBGWPEW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9706995487213135
2664,4395,-1,,,,0.8256203,ISDB,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,11.302481174468994
2665,4394,1210,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton1ethylamine,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
2666,4393,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SFNFQCXADNWOCI-KETMJRJWSA-N,"InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1proton,594.15847026,SFNFQCXADNWOCI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
2667,4393,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,FIAAVMJLAGNUKW-KZBKGRIKSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18+,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1proton,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
2668,4392,929,Terpenoids,Flavonoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.39253315,ISDB,JPYKYGKPHWIDPA-UHFFFAOYSA-N,"InChI=1S/C30H36O4/c1-17(2)8-9-22-27(32)26-23(16-21-14-20(7)15-24(31)25(21)28(26)33)30(29(22)34,12-10-18(3)4)13-11-19(5)6/h8,10-11,14-16,31,33-34H,9,12-13H2,1-7H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)c2cc3cc(C)cc(O)c3c(O)c2C1=O,C30H36O4,,460.2613596319999,JPYKYGKPHWIDPA,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Psorospermum aurantiacum,6101562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Vismieae'],['Psorospermum'],['Psorospermum aurantiacum'],1,3,4.070132613182068
2669,4392,929,Terpenoids,Flavonoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.39253315,ISDB,JPYKYGKPHWIDPA-UHFFFAOYSA-N,"InChI=1S/C30H36O4/c1-17(2)8-9-22-27(32)26-23(16-21-14-20(7)15-24(31)25(21)28(26)33)30(29(22)34,12-10-18(3)4)13-11-19(5)6/h8,10-11,14-16,31,33-34H,9,12-13H2,1-7H3",CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)c2cc3cc(C)cc(O)c3c(O)c2C1=O,C30H36O4,,460.2613596319999,JPYKYGKPHWIDPA,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Vismia macrophylla,507618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Hypericaceae'],['Vismieae'],['Vismia'],['Vismia macrophylla'],1,3,4.070132613182068
2670,4391,426,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.2837584,ISDB,HNGXYIVQLQGYNF-QHMILBNKSA-N,"InChI=1S/C18H28O4/c1-10-8-14(21-12(3)19)9-13-6-7-15-16(18(10,13)4)11(2)17(20-5)22-15/h9-11,14-17H,6-8H2,1-5H3/t10-,11-,14-,15-,16-,17+,18+/m0/s1",CO[C@@H]1O[C@H]2CCC3=C[C@@H](OC(C)=O)C[C@H](C)[C@@]3(C)[C@H]2[C@@H]1C,C18H28O4,,308.198759376,HNGXYIVQLQGYNF,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Lemnalia flava,4713406.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia flava'],2,2,4.13503360748291
2671,4385,-1,,,,0.617873,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,10.471492052078247
2672,4382,207,Alkaloids,,,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_2MNa,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2673,4382,207,Alkaloids,,,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_2MNa,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2674,4378,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.502323,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.009291887283325
2675,4372,1457,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",0.0,MS1_match,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,pos_1_1proton,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
2676,4371,-1,,,,0.58596367,ISDB,NOHMOWQGVDSLNY-UHFFFAOYSA-N,"InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3",COc1cc(CCC=CC(=O)CCc2ccccc2)ccc1O,C20H22O3,,310.156894564,NOHMOWQGVDSLNY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia conchigera,103584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia conchigera'],4,0,6.343854665756226
2677,4371,-1,,,,0.58596367,ISDB,NOHMOWQGVDSLNY-UHFFFAOYSA-N,"InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3",COc1cc(CCC=CC(=O)CCc2ccccc2)ccc1O,C20H22O3,,310.156894564,NOHMOWQGVDSLNY,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,0,6.343854665756226
2678,4370,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.81564623,ISDB,GVZVHYFESLXAML-UHFFFAOYSA-N,"InChI=1S/C20H25NO3/c1-21(2)14-13-16-8-12-19(24-4)20(22)18(16)11-7-15-5-9-17(23-3)10-6-15/h5-12,22H,13-14H2,1-4H3",COc1ccc(C=Cc2c(CCN(C)C)ccc(OC)c2O)cc1,C20H25NO3,,327.18344366,GVZVHYFESLXAML,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,0,9.262584924697876
2679,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],0,3,3.806399345397949
2680,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Equisetum telmateia,93158.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Equisetales'],['Equisetaceae'],['Unknown'],['Equisetum'],['Equisetum telmateia'],0,3,3.806399345397949
2681,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],0,3,3.806399345397949
2682,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Boronia koniambiensis,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,3.806399345397949
2683,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],0,3,3.806399345397949
2684,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],0,3,3.806399345397949
2685,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],0,3,3.806399345397949
2686,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Pseudo-nitzschia multistriata,252626.0,['Eukaryota'],['Unknown'],['Bacillariophyta'],['Bacillariophyceae'],['Unknown'],['Unknown'],['Unknown'],['Pseudo-nitzschia'],['Pseudo-nitzschia multistriata'],0,3,3.806399345397949
2687,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],0,3,3.806399345397949
2688,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,3,3.806399345397949
2689,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],0,3,3.806399345397949
2690,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],0,3,3.806399345397949
2691,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Streptococcus pneumoniae,699152.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Lactobacillales'],['Streptococcaceae'],['Unknown'],['Streptococcus'],['Streptococcus pneumoniae'],0,3,3.806399345397949
2692,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Campylobacter jejuni,559439.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Epsilonproteobacteria'],['Campylobacterales'],['Campylobacteraceae'],['Unknown'],['Campylobacter'],['Campylobacter jejuni'],0,3,3.806399345397949
2693,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Beauveria bassiana,859705.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Beauveria'],['Beauveria bassiana'],0,3,3.806399345397949
2694,4368,124,Fatty acids,Fatty amides,Primary amides,0.57659984,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Rhizoclonium hieroglyphicum,871596.0,['Eukaryota'],['Archaeplastida'],['Chlorophyta'],['Ulvophyceae'],['Cladophorales'],['Cladophoraceae'],['Unknown'],['Rhizoclonium'],['Rhizoclonium hieroglyphicum'],0,3,3.806399345397949
2695,4367,1422,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.8044531,ISDB,RRYTXWAMRRHHAA-UMBUOUCESA-N,"InChI=1S/C20H30O2/c1-16(2)14-5-7-18-9-8-17(3,12-18)6-4-15(18)19(14)10-11-20(16,21)22-13-19/h8-9,14-15,21H,4-7,10-13H2,1-3H3/t14-,15-,17-,18+,19+,20-/m0/s1",CC1(C)[C@@H]2CC[C@]34C=C[C@](C)(CC[C@@H]3[C@@]23CC[C@]1(O)OC3)C4,C20H30O2,,302.2245802,RRYTXWAMRRHHAA,Terpenoids,Diterpenoids,Beyerane diterpenoids,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],0,3,4.7178122997283936
2696,4366,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.2955838,ISDB,NXIXBHMKUKUWCV-VSGBNLITSA-N,"InChI=1S/C29H36O/c1-23(2)10-9-15-26-17-20-28(29(30)21-18-25-13-7-4-8-14-25)27(22-26)19-16-24-11-5-3-6-12-24/h3-8,10-14,17,27-28H,9,15-16,18-22H2,1-2H3/t27-,28-/m1/s1",CC(C)=CCCC1=CC[C@@H](C(=O)CCc2ccccc2)[C@H](CCc2ccccc2)C1,C29H36O,,400.276615772,NXIXBHMKUKUWCV,Terpenoids,,,Alpinia officinarum,477388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia officinarum'],4,1,5.682335257530212
2697,4365,1148,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,0.0,MS1_match,UFWIBTONFRDIAS-UHFFFAOYSA-N,InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H,c1ccc2ccccc2c1,C10H8,pos_1_1proton1isopropanol,128.062600256,UFWIBTONFRDIAS,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
2698,4361,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
2699,4361,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0
2700,4359,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2701,4359,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-LFXZADKFSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2702,4358,-1,,,,0.6547885,ISDB,LGHXTTIAZFVCCU-UHFFFAOYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-17H,2-9H2,1H3,(H,19,20)",CCCCCCCCCC=CC=CC=CC=CC(=O)O,C18H28O2,,276.208930136,LGHXTTIAZFVCCU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Arbacia punctulata,616569.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Echinoidea'],['Arbacoida'],['Arbaciidae'],['Unknown'],['Arbacia'],['Arbacia punctulata'],2,0,4.61915397644043
2703,4357,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.8531536,ISDB,KRZBCHWVBQOTNZ-PSEXTPKNSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Echinops galalensis,3894842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops galalensis'],7,3,11.912614345550537
2704,4357,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.8531536,ISDB,KRZBCHWVBQOTNZ-UHFFFAOYSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,C25H24O12,,516.126776208,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,11.912614345550537
2705,4357,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.8531536,ISDB,KRZBCHWVBQOTNZ-FCXRPNKRSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+",O=C(/C=C/c1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,11.912614345550537
2706,4357,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.8531536,ISDB,KRZBCHWVBQOTNZ-RDJMKVHDSA-N,"InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23?,25?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(O)(C(=O)O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1O,C25H24O12,,516.1267762079998,KRZBCHWVBQOTNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,11.912614345550537
2707,4356,171,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,JPHVNZOOBXUCDJ-MVIOUDGNSA-N,"InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1",CO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O,C7H14O6,pos_1_1proton1ammonium,194.079038168,JPHVNZOOBXUCDJ,Carbohydrates,Saccharides,Monosaccharides,Brachystemma calycinum,109659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Brachystemma'],['Brachystemma calycinum'],7,3,8.5
2708,4355,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mikania laevigata,755871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania laevigata'],6,0,6.0
2709,4355,-1,,,,0.0,MS1_match,GVRIYIMNJGULCZ-ZMKUSUEASA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-5+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GVRIYIMNJGULCZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mikania laevigata,755871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania laevigata'],6,0,6.0
2710,4355,-1,,,,0.0,MS1_match,BUNVNWZTWWZAPP-YSGQUSEASA-N,"InChI=1S/C15H18O8/c16-7-11(19)13(21)15(23)14(22)12(20)10(18)6-5-8-3-1-2-4-9(8)17/h1-6,11,13-17,19,21-23H,7H2/b6-5+/t11-,13-,14+,15+/m1/s1",O=C(/C=C/c1ccccc1O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C15H18O8,pos_1_1sodium,326.100167536,BUNVNWZTWWZAPP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ageratina tinifolia,7602716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina tinifolia'],6,0,6.0
2711,4352,98,Alkaloids,Ornithine alkaloids,Polyamines,0.27632657,ISDB,GDPWISSAARFOCU-UHFFFAOYSA-N,"InChI=1S/C34H43N3O9/c38-26-10-4-23(20-29(26)41)7-13-32(44)35-16-1-2-18-37(34(46)15-9-25-6-12-28(40)31(43)22-25)19-3-17-36-33(45)14-8-24-5-11-27(39)30(42)21-24/h4-6,10-12,20-22,38-43H,1-3,7-9,13-19H2,(H,35,44)(H,36,45)",O=C(CCc1ccc(O)c(O)c1)NCCCCN(CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C34H43N3O9,,637.299929956,GDPWISSAARFOCU,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.605306267738342
2712,4351,316,Amino acids and Peptides,Small peptides,Dipeptides,0.3170703,ISDB,BCXBIONYYJCSDF-CIUDSAMLSA-N,"InChI=1S/C11H22N2O3/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C,C11H22N2O3,,230.163042564,BCXBIONYYJCSDF,Amino acids and Peptides,Small peptides,Dipeptides,Paraburkholderia,5902778.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Burkholderiaceae'],['Unknown'],['Burkholderia'],['Unknown'],0,3,2.7682812213897705
2713,4350,290,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.26879153,ISDB,NYGZYUAVZPIKBZ-ZBEGNZNMSA-N,"InChI=1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1",COc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21,C16H14O5,,286.084123548,NYGZYUAVZPIKBZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Megaselia flavescens,4346252.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Phoridae'],['Megaseliini'],['Megaselia'],['Megaselia flavescens'],4,3,6.57516610622406
2714,4349,-1,,,,0.4886405,ISDB,,,,,,,BAKUYTLDCVITBO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9545619487762451
2715,4348,-1,,,,0.66804576,ISDB,RZRNAYUHWVFMIP-GDCKJWNLSA-N,"InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO,C21H40O4,,356.29265975999994,RZRNAYUHWVFMIP,Fatty acids,Glycerolipids,Monoacylglycerols,Gryllotalpa orientalis,160085.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Orthoptera'],['Gryllotalpidae'],['Unknown'],['Gryllotalpa'],['Gryllotalpa orientalis'],4,0,6.672183036804199
2716,4347,125,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.645318,ISDB,PFTAWBLQPZVEMU-HIFRSBDPSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2,C15H14O6,,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Herniaria fontanesii,5728620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Herniaria fontanesii'],6,3,10.081271886825562
2717,4341,-1,,,,0.0,MS1_match,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,pos_2MNa,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Cenchrus americanus,1079449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Cenchrus'],['Cenchrus americanus'],6,0,6.0
2718,4341,-1,,,,0.0,MS1_match,UTQNRZLKGDVLNM-UHFFFAOYSA-N,"InChI=1S/C13H18N2O2/c1-15(2)8-9-7-14-13-11(9)5-10(16-3)6-12(13)17-4/h5-7,14H,8H2,1-4H3",COc1cc(OC)c2[nH]cc(CN(C)C)c2c1,C13H18N2O2,pos_2MNa,234.136827816,UTQNRZLKGDVLNM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Phalaris aquatica,647123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phalaris'],['Phalaris aquatica'],6,0,6.0
2719,4340,68,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.6670746,ISDB,,,,,,,XBGIMYLOTRDXPK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6682984828948975
2720,4339,350,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.35497546,ISDB,,,,,,,JHCHWXZHJYRIQE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4199018478393555
2721,4337,502,Amino acids and Peptides,,,0.0,MS1_match,GURCLRPJAALUEO-GDLBMNFOSA-N,"InChI=1S/C15H19NO9/c17-4-7-10(18)11(19)12(20)15(25-7)24-6-3-1-2-5-8(14(22)23)13(21)16-9(5)6/h1-3,5,7-12,15,17-20H,4H2,(H,16,21)(H,22,23)/t5-,7+,8-,9+,10+,11-,12+,15+/m0/s1",O=C(O)[C@@H]1C(=O)N[C@H]2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C[C@@H]12,C15H19NO9,pos_1_1proton1ethylamine,357.105981188,GURCLRPJAALUEO,Amino acids and Peptides,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,1,6.5
2722,4334,657,Terpenoids,Triterpenoids,Triacylglycerols,0.37536034,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,7.0014413595199585
2723,4334,657,Terpenoids,Triterpenoids,Triacylglycerols,0.37536034,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,3,7.0014413595199585
2724,4334,657,Terpenoids,Triterpenoids,Triacylglycerols,0.37536034,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,3,7.0014413595199585
2725,4332,-1,,,,0.0,MS1_match,PLNSOEYRQLUSAI-WWGRRREGSA-N,"InChI=1S/C16H20O3/c1-10(15(18)19-4)12-5-7-16(3)8-6-14(17)11(2)13(16)9-12/h6,8,12-13H,1-2,5,7,9H2,3-4H3/t12-,13+,16+/m1/s1",C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)C=CC(=O)C(=C)[C@@H]2C1,C16H20O3,pos_1_1proton1methanol,260.1412445,PLNSOEYRQLUSAI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
2726,4332,-1,,,,0.0,MS1_match,QQSKRWNYOUTNSM-UHFFFAOYSA-N,"InChI=1S/C14H16O3/c15-12-9-7-5-3-1-2-4-6-8-10-14(17)11-13-16/h4,6-10,14-17H,11-13H2",OCC=CC#CC#CC=CC=CC(O)CCO,C14H16O3,pos_1_1proton1isopropanol,232.109944372,QQSKRWNYOUTNSM,Fatty acids,Fatty acyls,Fatty alcohols,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
2727,4332,-1,,,,0.0,MS1_match,LSBHOHCINQFSLQ-ZPTDNNSVSA-N,"InChI=1S/C17H24O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,12,15-16H,4,6-8,10H2,1-3H3/b11-5+,14-9-/t12-,15-,16+/m0/s1",CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C17H24O4,pos_1_1proton,292.167459248,LSBHOHCINQFSLQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
2728,4332,-1,,,,0.0,MS1_match,QQSKRWNYOUTNSM-YSGXWUQLSA-N,"InChI=1S/C14H16O3/c15-12-9-7-5-3-1-2-4-6-8-10-14(17)11-13-16/h4,6-10,14-17H,11-13H2/b6-4+,9-7+,10-8+/t14-/m0/s1",OC/C=C/C#CC#C/C=C/C=C/[C@H](O)CCO,C14H16O3,pos_1_1proton1isopropanol,232.109944372,QQSKRWNYOUTNSM,Fatty acids,Fatty acyls,Fatty alcohols,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
2729,4329,228,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,XXIKYCPRDXIMQM-UHFFFAOYSA-N,"InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3",CC(=O)OCC=C(C)C,C7H12O2,pos_1_1proton1ammonium,128.083729624,XXIKYCPRDXIMQM,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2730,4329,228,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,HNJBEVLQSNELDL-UHFFFAOYSA-N,"InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)",O=C1CCCN1,C4H7NO,pos_1_1proton1isopropanol,85.052763844,HNJBEVLQSNELDL,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2731,4329,228,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,TZMFJUDUGYTVRY-UHFFFAOYSA-N,"InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3H2,1-2H3",CCC(=O)C(C)=O,C5H8O2,pos_1_1proton1ethylamine,100.052429496,TZMFJUDUGYTVRY,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
2732,4328,-1,,,,0.0,MS1_match,WDPQNSQNFBXQCI-UHFFFAOYSA-N,"InChI=1S/C21H18O10/c1-7-17(26)19(28)20(29)21(30-7)16-12(25)6-14-15(18(16)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,19-23,25,27-29H,1H3",CC1OC(c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C(O)C(O)C1=O,C21H18O10,pos_1_1proton1isopropanol,430.089996776,WDPQNSQNFBXQCI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
2733,4324,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.70554394,ISDB,KIHAGWUUUHJRMS-JOCHJYFZSA-N,"InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,C23H48NO7P,,481.316839506,KIHAGWUUUHJRMS,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],0,3,4.322175741195679
2734,4323,1086,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7257567,ISDB,TZLBIEKHFHDXHJ-NWDGAFQWSA-N,"InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12+/m0/s1",COc1cc2c(cc1C)[C@H](C(C)C)CC[C@H]2C(=O)O,C16H22O3,,262.156894564,TZLBIEKHFHDXHJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca grandiflora,3898467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,8.403026819229126
2735,4323,1086,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7257567,ISDB,TZLBIEKHFHDXHJ-RYUDHWBXSA-N,"InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12-/m0/s1",COc1cc2c(cc1C)[C@H](C(C)C)CC[C@@H]2C(=O)O,C16H22O3,,262.156894564,TZLBIEKHFHDXHJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca subaxillaris,206813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],4,3,8.403026819229126
2736,4322,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7412473,ISDB,SNIUTNKNNXNVFA-UHFFFAOYSA-N,"InChI=1S/C20H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h16-19H,2-15H2,1H3,(H2,21,22)",CCCCCCCCCCCCCCCC=CC=CC(N)=O,C20H37NO,,307.287514804,SNIUTNKNNXNVFA,,,,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,6.964989185333252
2737,4321,-1,,,,0.0,MS1_match,SUOHGOIHHZPJSG-GINMOIGRSA-N,"InChI=1S/C29H38O9/c1-8-14(2)26(34)38-25-15(3)11-28-16(4)9-21-22(27(21,7)13-37-18(6)31)20(24(28)33)10-19(12-36-17(5)30)23(32)29(25,28)35/h8,10-11,16,20-23,25,32,35H,9,12-13H2,1-7H3/b14-8-/t16-,20+,21-,22+,23-,25+,27-,28+,29+/m1/s1",C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)[C@@]1(C)COC(C)=O,C29H38O9,pos_1_1proton1isopropanol,530.2515827959999,SUOHGOIHHZPJSG,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
2738,4321,-1,,,,0.0,MS1_match,YYLJXVKJJBZWBK-UHFFFAOYSA-N,"InChI=1S/C29H38O9/c1-8-15(4)25(34)37-13-26(7)22-20-21(31)18(12-30)11-27(35)19(9-16(5)23(27)32)29(20,36)17(6)10-28(22,26)38-24(33)14(2)3/h8-9,11,14,17,19-20,22,30,35-36H,10,12-13H2,1-7H3",CC=C(C)C(=O)OCC1(C)C2C3C(=O)C(CO)=CC4(O)C(=O)C(C)=CC4C3(O)C(C)CC21OC(=O)C(C)C,C29H38O9,pos_1_1proton1isopropanol,530.2515827959999,YYLJXVKJJBZWBK,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia grandicornis,857361.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia grandicornis'],7,0,7.0
2739,4321,-1,,,,0.0,MS1_match,YIXVDGLDWGKZOK-WZMNZSSYSA-N,"InChI=1S/C31H42O9/c1-9-17(4)27(35)40-30-12-19(6)31(37)22(24(30)28(30,8)15-39-26(34)16(2)3)11-21(14-38-20(7)32)13-29(36)23(31)10-18(5)25(29)33/h9-11,16,19,22-24,36-37H,12-15H2,1-8H3/b17-9-/t19-,22+,23-,24-,28-,29-,30+,31-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C31H42O9,pos_1_1proton1methanol,558.282882924,YIXVDGLDWGKZOK,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia caerulescens,136212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia caerulescens'],7,0,7.0
2740,4321,-1,,,,0.0,MS1_match,YIXVDGLDWGKZOK-WZMNZSSYSA-N,"InChI=1S/C31H42O9/c1-9-17(4)27(35)40-30-12-19(6)31(37)22(24(30)28(30,8)15-39-26(34)16(2)3)11-21(14-38-20(7)32)13-29(36)23(31)10-18(5)25(29)33/h9-11,16,19,22-24,36-37H,12-15H2,1-8H3/b17-9-/t19-,22+,23-,24-,28-,29-,30+,31-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C31H42O9,pos_1_1proton1methanol,558.282882924,YIXVDGLDWGKZOK,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia ledienii,292592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ledienii'],7,0,7.0
2741,4321,-1,,,,0.0,MS1_match,YIXVDGLDWGKZOK-WZMNZSSYSA-N,"InChI=1S/C31H42O9/c1-9-17(4)27(35)40-30-12-19(6)31(37)22(24(30)28(30,8)15-39-26(34)16(2)3)11-21(14-38-20(7)32)13-29(36)23(31)10-18(5)25(29)33/h9-11,16,19,22-24,36-37H,12-15H2,1-8H3/b17-9-/t19-,22+,23-,24-,28-,29-,30+,31-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C31H42O9,pos_1_1proton1methanol,558.282882924,YIXVDGLDWGKZOK,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia triangularis,411388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia triangularis'],7,0,7.0
2742,4321,-1,,,,0.0,MS1_match,YIXVDGLDWGKZOK-LFXLHSEQSA-N,"InChI=1S/C31H42O9/c1-9-17(4)27(35)40-30-12-19(6)31(37)22(24(30)28(30,8)15-39-26(34)16(2)3)11-21(14-38-20(7)32)13-29(36)23(31)10-18(5)25(29)33/h9-11,16,19,22-24,36-37H,12-15H2,1-8H3/b17-9+/t19-,22+,23-,24-,28-,29-,30+,31-/m1/s1",C/C=C(\C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(C)=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C31H42O9,pos_1_1proton1methanol,558.282882924,YIXVDGLDWGKZOK,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia cooperi,827130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia cooperi'],7,0,7.0
2743,4320,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1proton1ethylamine,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
2744,4316,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,AXXQQGBQPBSIBA-UHFFFAOYSA-N,"InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3",COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)ccc1O,C28H32O16,pos_1_1proton,624.169034944,AXXQQGBQPBSIBA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Spergularia rubra,1095840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sperguleae'],['Spergularia'],['Spergularia rubra'],6,3,7.5
2745,4316,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,AXXQQGBQPBSIBA-UHFFFAOYSA-N,"InChI=1S/C28H32O16/c1-41-12-4-8(2-3-9(12)31)11-5-10(32)15-20(35)16(27-24(39)22(37)18(33)13(6-29)43-27)21(36)17(26(15)42-11)28-25(40)23(38)19(34)14(7-30)44-28/h2-5,13-14,18-19,22-25,27-31,33-40H,6-7H2,1H3",COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(O)c(C4OC(CO)C(O)C(O)C4O)c3o2)ccc1O,C28H32O16,pos_1_1proton,624.169034944,AXXQQGBQPBSIBA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Spergularia rubra,1095840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sperguleae'],['Spergularia'],['Spergularia rubra'],6,3,7.5
2746,4315,544,Carbohydrates,Polyols,Amino cyclitols,0.5633715,ISDB,BPNNJABAUGSBLB-NGJRWZKOSA-N,"InChI=1S/C8H15NO4/c1-3-4(2-10)6(11)8(13)7(12)5(3)9/h5-8,10-13H,2,9H2,1H3/t5-,6-,7+,8+/m1/s1",CC1=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1N,C8H15NO4,,189.10010796,BPNNJABAUGSBLB,Carbohydrates,Polyols,Amino cyclitols,Streptomyces hygroscopicus,65272.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces hygroscopicus'],0,3,3.753485918045044
2747,4314,86,Fatty acids,Fatty esters,Wax monoesters,0.0,MS1_match,SYBXHKPNOOTSRG-YUHDQEDHSA-N,"InChI=1S/C38H58O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-27-31-35-41-38(40)34-30-26-23-25-29-33-37(42-36(3)39)32-28-24-21-11-9-7-5-2/h5,7,12-13,15-16,28,32,37H,4,6,8,10,14,17-20,22-23,25-27,29-31,33-35H2,1-3H3/b7-5-,13-12-,16-15-,32-28+/t37-/m0/s1",C/C=C\C#CC#C/C=C/[C@@H](CCCCCCCC(=O)OCCCCCCCC/C=C\C/C=C\CCCCC)OC(C)=O,C38H58O4,pos_1_1sodium,578.433510336,SYBXHKPNOOTSRG,Fatty acids,Fatty esters,Wax monoesters,Inulanthera dregeana,5920598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera dregeana'],6,3,7.5
2748,4312,-1,,,,0.56741416,ISDB,YNNQTVPKSXTDCK-SABUVIKOSA-N,"InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,13-14,17-18,20H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t17-,18+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@H](C)N,C18H31NO,,277.240564612,YNNQTVPKSXTDCK,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],0,0,2.2696566581726074
2749,4310,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6161195,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Aphis gossypii,1026471.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hemiptera'],['Aphididae'],['Aphidini'],['Aphis'],['Aphis gossypii'],0,3,3.964478015899658
2750,4310,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6161195,ISDB,PYVRVRFVLRNJLY-MZMPXXGTSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-/t22-/m1/s1",CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Lysiphlebia japonica,697724.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Braconidae'],['Unknown'],['Lysiphlebia'],['Lysiphlebia japonica'],0,3,3.964478015899658
2751,4310,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6161195,ISDB,PYVRVRFVLRNJLY-KTKRTIGZSA-N,"InChI=1S/C23H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h9-10,22,25H,2-8,11-21,24H2,1H3,(H,27,28)/b10-9-",CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN,C23H46NO7P,,479.301189442,PYVRVRFVLRNJLY,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],0,3,3.964478015899658
2752,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
2753,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
2754,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-DUXPYHPUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2755,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,3,8.5
2756,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)",O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.095082156,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2757,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-DUXPYHPUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2758,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,8.5
2759,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)",O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.095082156,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2760,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
2761,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
2762,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2763,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2764,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2765,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,3,8.5
2766,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,3,8.5
2767,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2768,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
2769,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,3,8.5
2770,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,3,8.5
2771,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
2772,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
2773,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2774,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2775,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2776,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2777,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
2778,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,3,8.5
2779,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
2780,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
2781,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2782,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
2783,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2784,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
2785,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,3,8.5
2786,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
2787,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],7,3,8.5
2788,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,3,8.5
2789,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
2790,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
2791,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,3,8.5
2792,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,8.5
2793,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
2794,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,3,8.5
2795,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
2796,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,3,8.5
2797,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,3,8.5
2798,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,3,8.5
2799,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,3,8.5
2800,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],7,3,8.5
2801,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
2802,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
2803,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2804,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
2805,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
2806,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,3,8.5
2807,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2808,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,3,8.5
2809,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2810,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
2811,4309,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2812,4308,-1,,,,0.3890336,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,0,7.556134343147278
2813,4308,-1,,,,0.3890336,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],6,0,7.556134343147278
2814,4308,-1,,,,0.3890336,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis raddeana,7048977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis raddeana'],6,0,7.556134343147278
2815,4308,-1,,,,0.3890336,ISDB,GBRMPBIZRSWCMZ-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1(C(O)c3ccc4c(c3C1O)OCO4)N(C)CC2,C21H23NO6,,385.152537456,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis govaniana,5727971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis govaniana'],6,0,7.556134343147278
2816,4308,-1,,,,0.3890336,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ledebouriana,5232171.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ledebouriana'],6,0,7.556134343147278
2817,4306,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,YJOYYSNWDZCBDG-UHFFFAOYSA-N,"InChI=1S/C11H18O5/c1-2-14-10-7-6(3-4-15-10)8(13)9-11(7,5-12)16-9/h6-10,12-13H,2-5H2,1H3",CCOC1OCCC2C(O)C3OC3(CO)C12,C11H18O5,pos_2MHCH3CN,230.115423676,YJOYYSNWDZCBDG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,1,7.5
2818,4306,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,YJOYYSNWDZCBDG-VFZPANTDSA-N,"InChI=1S/C11H18O5/c1-2-14-10-7-6(3-4-15-10)8(13)9-11(7,5-12)16-9/h6-10,12-13H,2-5H2,1H3/t6-,7-,8+,9+,10-,11-/m1/s1",CCO[C@@H]1OCC[C@H]2[C@H](O)[C@@H]3O[C@]3(CO)[C@@H]12,C11H18O5,pos_2MHCH3CN,230.115423676,YJOYYSNWDZCBDG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,1,7.5
2819,4305,350,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.25121686,ISDB,GPNSLBBGXISSBA-UHFFFAOYSA-N,"InChI=1S/C29H32O16/c1-12(31)40-9-21-23(35)24(36)25(45-28-26(37)29(38,10-30)11-41-28)27(44-21)42-14-6-16(33)22-17(34)8-18(43-20(22)7-14)13-3-4-15(32)19(5-13)39-2/h3-8,21,23-28,30,32-33,35-38H,9-11H2,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(COC(C)=O)C(O)C(O)C4OC4OCC(O)(CO)C4O)cc3o2)ccc1O,C29H32O16,,636.1690349439998,GPNSLBBGXISSBA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,6.504867434501648
2820,4303,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,NXPGJJMURHLIQZ-PTYZRMAZSA-N,"InChI=1S/C24H28O8/c1-12(7-9-26)23(28)31-18-10-13(2)16-11-17(30-19(27)6-5-8-25)14(3)20(16)22-21(18)15(4)24(29)32-22/h5-7,16-18,20-22,25-26H,2-4,8-11H2,1H3/b6-5+,12-7+/t16-,17-,18-,20-,21+,22+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)/C=C/CO)C[C@H]3C(=C)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12,C24H28O8,pos_1_1proton1ammonium,444.178417856,NXPGJJMURHLIQZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
2821,4303,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GTSOTOVVHXPNJT-NHRYLUQDSA-N,"InChI=1S/C24H28O8/c1-11-6-16(7-18(27)12(2)9-29-14(4)25)20-13(3)23(28)32-22(20)21-17(11)8-19(31-15(5)26)24(21)10-30-24/h16-17,19-22H,1-3,6-10H2,4-5H3/t16-,17+,19+,20-,21+,22+,24-/m1/s1",C=C(COC(C)=O)C(=O)C[C@H]1CC(=C)[C@@H]2C[C@H](OC(C)=O)[C@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12,C24H28O8,pos_1_1proton1ammonium,444.178417856,GTSOTOVVHXPNJT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
2822,4301,198,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.4883773,ISDB,ZOKXIFXOULCJPE-SAUXFKQKSA-N,"InChI=1S/C13H23NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-8,10,12,15H,6,9H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12-/m0/s1",C/C=C/C=C(\C)C(=O)N[C@@H](CO)[C@@H](C)CC,C13H23NO2,,225.172878976,ZOKXIFXOULCJPE,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Furcasterigmium furcatum,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,3.453509211540222
2823,4301,198,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.4883773,ISDB,ZOKXIFXOULCJPE-SAUXFKQKSA-N,"InChI=1S/C13H23NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-8,10,12,15H,6,9H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12-/m0/s1",C/C=C/C=C(\C)C(=O)N[C@@H](CO)[C@@H](C)CC,C13H23NO2,,225.172878976,ZOKXIFXOULCJPE,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Acremonium furcatum,871254.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Bionectriaceae'],['Unknown'],['Acremonium'],['Acremonium furcatum'],0,3,3.453509211540222
2824,4300,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.41287145,ISDB,DVRAXSJEOJUVCR-UHFFFAOYSA-N,"InChI=1S/C14H29NO2/c1-4-13(16)9-11-7-6-8-12(15(11)3)10-14(17)5-2/h11-14,16-17H,4-10H2,1-3H3",CCC(O)CC1CCCC(CC(O)CC)N1C,C14H29NO2,,243.219829168,DVRAXSJEOJUVCR,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Lobelia inflata,618368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Lobelia'],['Lobelia inflata'],0,3,3.151485800743103
2825,4297,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.75154626,ISDB,LFUDDCMNKWEORN-ZXEGGCGDSA-N,"InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C24H48NO7P,,493.3168395059999,LFUDDCMNKWEORN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,3,4.506185054779053
2826,4296,-1,,,,0.0,MS1_match,VVOAZFWZEDHOOU-UHFFFAOYSA-N,"InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2",C=CCc1ccc(O)c(-c2cc(CC=C)ccc2O)c1,C18H18O2,pos_2MMg,266.130679816,VVOAZFWZEDHOOU,Shikimates and Phenylpropanoids,Lignans,Neolignans,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2827,4295,-1,,,,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2828,4291,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SFNFQCXADNWOCI-KETMJRJWSA-N,"InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1proton,594.15847026,SFNFQCXADNWOCI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
2829,4291,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,FIAAVMJLAGNUKW-KZBKGRIKSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18+,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1proton,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
2830,4290,197,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6214206,ISDB,PONPZQHPWHPKMF-BHFRCIHZSA-N,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)6-12(15-10(3)20(26)29-19(15)14(8)11)27-21-18(25)17(24)16(23)13(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1CC[C@H]2C(=C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C21H30O8,,410.19406792,PONPZQHPWHPKMF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],4,3,7.985682487487793
2831,4287,-1,,,,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1sodium,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops geniculata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,0,7.0
2832,4287,-1,,,,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1sodium,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops neglecta,34475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops neglecta'],7,0,7.0
2833,4287,-1,,,,0.0,MS1_match,PATJZXBBUQEFOY-UHFFFAOYSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3",COc1cc(C=CC(=O)OCC(O)COC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1sodium,444.142032348,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops ovata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,0,7.0
2834,4287,-1,,,,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1sodium,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops geniculata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,0,7.0
2835,4287,-1,,,,0.0,MS1_match,PATJZXBBUQEFOY-NXZHAISVSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3/b9-5+,10-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1sodium,444.14203234799993,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops neglecta,34475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops neglecta'],7,0,7.0
2836,4287,-1,,,,0.0,MS1_match,PATJZXBBUQEFOY-UHFFFAOYSA-N,"InChI=1S/C23H24O9/c1-29-20-11-15(3-7-18(20)25)5-9-22(27)31-13-17(24)14-32-23(28)10-6-16-4-8-19(26)21(12-16)30-2/h3-12,17,24-26H,13-14H2,1-2H3",COc1cc(C=CC(=O)OCC(O)COC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O,C23H24O9,pos_1_1sodium,444.142032348,PATJZXBBUQEFOY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aegilops ovata,607551.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Aegilops'],['Aegilops geniculata'],7,0,7.0
2837,4286,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.77880025,ISDB,VPDJBEHQUMUQDG-GFCCVEGCSA-N,"InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-5,7-8,12H,3,6H2,1-2H3,(H,16,17)/t12-/m1/s1",C=C(C(=O)O)[C@H]1C=C2C(C)=CC=C2C(C)=CC1,C15H16O2,,228.115029752,VPDJBEHQUMUQDG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ursinia nudicaulis,6055864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia nudicaulis'],6,3,10.615200996398926
2838,4284,275,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,ZTALKMXOHWQNIA-LVMPZUNDSA-N,"InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+/t12-,14+,15-/m0/s1",CC(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O,C15H22O3,pos_1_minus1proton1magnesium,250.156894564,ZTALKMXOHWQNIA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,3,7.5
2839,4283,-1,,,,0.0,MS1_match,HKLADSWGNVREOU-INKKCGMNSA-N,"InChI=1S/C20H23NO7/c1-10-11(2)18(24)27-15-8-16(23)21-7-6-14(17(15)21)9-26-19(25)20(5,12(10)3)28-13(4)22/h6-7,10,12,15H,2,8-9H2,1,3-5H3/t10?,12?,15-,20?/m1/s1",C=C1C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)C(C)(OC(C)=O)C(C)C1C,C20H23NO7,pos_1_1proton1dmso,389.147452076,HKLADSWGNVREOU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio canchahuinganquensis,7609002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio canchahuinganquensis'],6,0,6.0
2840,4283,-1,,,,0.0,MS1_match,HKLADSWGNVREOU-INKKCGMNSA-N,"InChI=1S/C20H23NO7/c1-10-11(2)18(24)27-15-8-16(23)21-7-6-14(17(15)21)9-26-19(25)20(5,12(10)3)28-13(4)22/h6-7,10,12,15H,2,8-9H2,1,3-5H3/t10?,12?,15-,20?/m1/s1",C=C1C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)C(C)(OC(C)=O)C(C)C1C,C20H23NO7,pos_1_1proton1dmso,389.147452076,HKLADSWGNVREOU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio pampeanus,7609563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio pampeanus'],6,0,6.0
2841,4283,-1,,,,0.0,MS1_match,HKLADSWGNVREOU-FZJKJZFMSA-N,"InChI=1S/C20H23NO7/c1-10-11(2)18(24)27-15-8-16(23)21-7-6-14(17(15)21)9-26-19(25)20(5,12(10)3)28-13(4)22/h6-7,10,12,15H,2,8-9H2,1,3-5H3/t10-,12-,15-,20-/m1/s1",C=C1C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)[C@](C)(OC(C)=O)[C@H](C)[C@@H]1C,C20H23NO7,pos_1_1proton1dmso,389.147452076,HKLADSWGNVREOU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio inaequidens,901730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio inaequidens'],6,0,6.0
2842,4283,-1,,,,0.0,MS1_match,HKLADSWGNVREOU-FZJKJZFMSA-N,"InChI=1S/C20H23NO7/c1-10-11(2)18(24)27-15-8-16(23)21-7-6-14(17(15)21)9-26-19(25)20(5,12(10)3)28-13(4)22/h6-7,10,12,15H,2,8-9H2,1,3-5H3/t10-,12-,15-,20-/m1/s1",C=C1C(=O)O[C@@H]2CC(=O)n3ccc(c32)COC(=O)[C@](C)(OC(C)=O)[C@H](C)[C@@H]1C,C20H23NO7,pos_1_1proton1dmso,389.147452076,HKLADSWGNVREOU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio pterophorus,792673.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio pterophorus'],6,0,6.0
2843,4283,-1,,,,0.0,MS1_match,HKLADSWGNVREOU-KCWGFBIJSA-N,"InChI=1S/C20H23NO7/c1-10-11(2)18(24)27-15-8-16(23)21-7-6-14(17(15)21)9-26-19(25)20(5,12(10)3)28-13(4)22/h6-7,10,12,15H,2,8-9H2,1,3-5H3/t10-,12+,15+,20-/m1/s1",C=C1C(=O)O[C@H]2CC(=O)n3ccc(c32)COC(=O)[C@](C)(OC(C)=O)[C@@H](C)[C@@H]1C,C20H23NO7,pos_1_1proton1dmso,389.147452076,HKLADSWGNVREOU,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio humillimus,903355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio humillimus'],6,0,6.0
2844,4283,-1,,,,0.0,MS1_match,NTGIQQBAUYBEBF-KKJULMBHSA-N,"InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15-,20-/m0/s1",C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O,C20H23NO7,pos_1_1proton1dmso,389.147452076,NTGIQQBAUYBEBF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio richii,5794315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio richii'],6,0,6.0
2845,4283,-1,,,,0.0,MS1_match,NTGIQQBAUYBEBF-KKJULMBHSA-N,"InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15-,20-/m0/s1",C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O,C20H23NO7,pos_1_1proton1dmso,389.147452076,NTGIQQBAUYBEBF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio magnificus,7051857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio magnificus'],6,0,6.0
2846,4283,-1,,,,0.0,MS1_match,NTGIQQBAUYBEBF-KKJULMBHSA-N,"InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15-,20-/m0/s1",C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O,C20H23NO7,pos_1_1proton1dmso,389.147452076,NTGIQQBAUYBEBF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio quadridentatus,55469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio quadridentatus'],6,0,6.0
2847,4283,-1,,,,0.0,MS1_match,NTGIQQBAUYBEBF-FGWFJSQJSA-N,"InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5-/t11-,15+,20+/m1/s1",C/C=C1/C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O,C20H23NO7,pos_1_1proton1dmso,389.147452076,NTGIQQBAUYBEBF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Kleinia kleinioides,7608513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Kleinia'],['Kleinia kleinioides'],6,0,6.0
2848,4283,-1,,,,0.0,MS1_match,NTGIQQBAUYBEBF-KYRPGFEVSA-N,"InChI=1S/C20H23NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-6-7-21-16(23)9-15(17(14)21)27-18(13)24/h5-7,11,15H,8-10H2,1-4H3/b13-5+/t11-,15+,20-/m1/s1",C/C=C1\C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCc2ccn3c2[C@H](CC3=O)OC1=O,C20H23NO7,pos_1_1proton1dmso,389.147452076,NTGIQQBAUYBEBF,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Tephroseris integrifolia,63649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Tephroseris'],['Tephroseris integrifolia'],6,0,6.0
2849,4282,558,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
2850,4281,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.45373514,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.814940571784973
2851,4280,-1,,,,0.0,MS1_match,LDAXOIIEQDPAJA-YPAVVWTQSA-N,"InChI=1S/C36H36N4O6/c1-8-19-16(3)23-12-24-17(4)21(10-11-29(42)45-6)33(39-24)31-32(36(44)46-7)35(43)30-18(5)25(40-34(30)31)13-27-20(9-2)22(15-41)28(38-27)14-26(19)37-23/h8,12-15,17,21,32,39,41H,1,9-11H2,2-7H3/t17-,21-,32+/m0/s1",C=CC1=C(C)C2=NC1=CC1=NC(=C(CC)C1=CO)C=C1N=C3C(=C1C)C(=O)[C@H](C(=O)OC)C3=C1NC(=C2)[C@@H](C)[C@@H]1CCC(=O)OC,C36H36N4O6,pos_1_1proton,620.263484872,LDAXOIIEQDPAJA,Alkaloids,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
2852,4278,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1proton1ethylamine,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
2853,4277,-1,,,,0.8121386,ISDB,BDFXMYWHFMODCU-UHFFFAOYSA-N,"InChI=1S/C17H14O6/c1-21-12-6-4-3-5-9(12)13-7-10(18)15-11(19)8-14(22-2)16(20)17(15)23-13/h3-8,19-20H,1-2H3",COc1ccccc1-c1cc(=O)c2c(O)cc(OC)c(O)c2o1,C17H14O6,,314.079038168,BDFXMYWHFMODCU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lagochilus leiacanthus,7054108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Leonureae'],['Lagochilus'],['Lagochilus leiacanthus'],4,0,7.248554468154907
2854,4276,-1,,,,0.0,MS1_match,AODFHPPZKRRCIU-UHFFFAOYSA-N,"InChI=1S/C17H16O3/c1-9-4-11(18)6-13-12(9)8-17(20-3)15-5-10(2)16(19)7-14(13)15/h4-8,18-19H,1-3H3",COc1cc2c(C)cc(O)cc2c2cc(O)c(C)cc12,C17H16O3,pos_1_1proton1dmso,268.109944372,AODFHPPZKRRCIU,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Tannodia perrieri,211929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Tannodia'],['Tannodia perrieri'],6,0,6.0
2855,4275,-1,,,,0.31868416,ISDB,OXVUXGFZHDKYLS-BLIWDXROSA-N,"InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,23+,26+,27-,28-,29-,30+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C30H48O5,,488.3501746359999,OXVUXGFZHDKYLS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Trogopterus xanthipes,427305.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Rodentia'],['Sciuridae'],['Pteromyini'],['Trogopterus'],['Trogopterus xanthipes'],2,0,3.2747366428375244
2856,4273,-1,,,,0.46705225,ISDB,ROVBLBTUXSRVKA-JZDCBCHLSA-N,"InChI=1S/C27H42O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h12,15-16,18-22,28H,6-11,13-14,17H2,1-5H3/t19-,20+,21-,22-,24-,25-,26-,27+/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C27H42O3,,414.3133952039999,ROVBLBTUXSRVKA,Terpenoids,Steroids,Cholestane steroids,Aplysia juliana,925106.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Anaspidea'],['Aplysiidae'],['Unknown'],['Aplysia'],['Aplysia juliana'],4,0,5.868209004402161
2857,4273,-1,,,,0.46705225,ISDB,ROVBLBTUXSRVKA-JZDCBCHLSA-N,"InChI=1S/C27H42O3/c1-18(2)7-6-8-19(3)21-9-10-22-24(21,4)13-12-23-25(5)14-11-20(28)17-26(25)15-16-27(22,23)30-29-26/h12,15-16,18-22,28H,6-11,13-14,17H2,1-5H3/t19-,20+,21-,22-,24-,25-,26-,27+/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3,C27H42O3,,414.3133952039999,ROVBLBTUXSRVKA,Terpenoids,Steroids,Cholestane steroids,Aplysia dactylomela,118917.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Anaspidea'],['Aplysiidae'],['Unknown'],['Aplysia'],['Aplysia dactylomela'],4,0,5.868209004402161
2858,4272,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.6299465,ISDB,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,12.01978588104248
2859,4271,-1,,,,0.5581223,ISDB,HKPWFXFDARLLFG-XZZSVINISA-N,"InChI=1S/C27H42O/c1-17(5-6-19-15-18(19)2)23-9-10-24-22-8-7-20-16-21(28)11-13-26(20,3)25(22)12-14-27(23,24)4/h5-7,17-19,21-25,28H,8-16H2,1-4H3/b6-5+/t17-,18-,19+,21+,22+,23-,24+,25+,26+,27-/m1/s1",C[C@H](/C=C/[C@H]1C[C@H]1C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O,,382.323565964,HKPWFXFDARLLFG,Terpenoids,Steroids,Cholestane steroids,Sarcophyton glaucum,475463.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sarcophyton'],['Sarcophyton glaucum'],2,0,4.232489109039307
2860,4270,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.0,MS1_match,KSMVZQYAVGTKIV-UHFFFAOYSA-N,"InChI=1S/C10H20O/c1-2-3-4-5-6-7-8-9-10-11/h10H,2-9H2,1H3",CCCCCCCCCC=O,C10H20O,pos_1_1proton2acetonitrile,156.15141526,KSMVZQYAVGTKIV,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
2861,4268,-1,,,,0.42790702,ISDB,USFPRMRLELMJPI-OSGJJNKQSA-N,"InChI=1S/C20H24O4/c1-9-15-13(24-18(9)23)6-11-16(17(15)22)12(21)7-14-19(11,2)5-4-10-8-20(10,14)3/h10,12-14,21H,4-8H2,1-3H3/t10?,12-,13+,14-,19-,20-/m0/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1C[C@@H]3O,C20H24O4,,328.167459248,USFPRMRLELMJPI,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,8.711628079414368
2862,4268,-1,,,,0.42790702,ISDB,USFPRMRLELMJPI-OSGJJNKQSA-N,"InChI=1S/C20H24O4/c1-9-15-13(24-18(9)23)6-11-16(17(15)22)12(21)7-14-19(11,2)5-4-10-8-20(10,14)3/h10,12-14,21H,4-8H2,1-3H3/t10?,12-,13+,14-,19-,20-/m0/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1C[C@@H]3O,C20H24O4,,328.167459248,USFPRMRLELMJPI,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,0,8.711628079414368
2863,4267,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
2864,4267,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],7,0,7.0
2865,4267,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-HIMJKWBMSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplis,587391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplis'],7,0,7.0
2866,4267,-1,,,,0.0,MS1_match,HOMYIYLRRDTKAA-PNBHDEFOSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19+,28-26+/t32-,33-,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia platyphyllos,935918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia platyphyllos'],7,0,7.0
2867,4267,-1,,,,0.0,MS1_match,FCJMSLIHUAMACO-ZAHWFXDLSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,26,28,32-38,40,42-47H,3-16,18,20-25,27,29-31H2,1-2H3,(H,41,48)/b19-17+,28-26+/t32-,33+,34+,35?,36?,37+,38-,40+/m0/s1",CCCCCCCC/C=C/CCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)C(O)[C@@H](O)[C@@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,FCJMSLIHUAMACO,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],7,0,7.0
2868,4267,-1,,,,0.0,MS1_match,FCJMSLIHUAMACO-ZAHWFXDLSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19,26,28,32-38,40,42-47H,3-16,18,20-25,27,29-31H2,1-2H3,(H,41,48)/b19-17+,28-26+/t32-,33+,34+,35?,36?,37+,38-,40+/m0/s1",CCCCCCCC/C=C/CCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)C(O)[C@@H](O)[C@@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1sodium,713.54418298,FCJMSLIHUAMACO,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Euphorbia peplis,587391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplis'],7,0,7.0
2869,4265,74,Amino acids and Peptides,Small peptides,Aminoacids,0.52639043,ISDB,YBAFDPFAUTYYRW-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-10(16)7(12)3-4-9(14)15/h6-8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O,C11H20N2O5,,260.13722174,YBAFDPFAUTYYRW,Amino acids and Peptides,Small peptides,Dipeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,2,3.1055617332458496
2870,4264,-1,,,,0.0,MS1_match,MHSNFBCADMKSGM-ZLOPVZDYSA-N,"InChI=1S/C36H50O17/c1-15(2)9-23(39)51-27-30(50-21(13-37)26(36(27,48)31(45)46)52-32-35(47,14-38)25(41)29(44)53-32)49-18-10-19(28(42)43)20-7-8-34-11-17(16(3)24(34)40)5-6-22(34)33(20,4)12-18/h15,17-22,24,26-27,30,32,37-38,40,47-48H,3,5-14H2,1-2,4H3,(H,42,43)(H,45,46)/t17-,18-,19-,20-,21-,22+,24-,26-,27+,30-,32+,33-,34-,35-,36-/m1/s1",C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@H]6OC(=O)C(=O)[C@]6(O)CO)[C@](O)(C(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O,C36H50O17,pos_1_1proton,754.30480014,MHSNFBCADMKSGM,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0
2871,4263,276,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MH,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
2872,4258,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,WXTMDXOMEHJXQO-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",O=C(O)c1cc(O)ccc1O,C7H6O4,pos_1_1proton,154.026608672,WXTMDXOMEHJXQO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
2873,4258,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
2874,4257,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-JMYXGHFSSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3-/t11-,12-,14-,16+/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,3,8.5
2875,4257,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2876,4257,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-JMYXGHFSSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3-/t11-,12-,14-,16+/m1/s1",O=C(/C=C\c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,3,8.5
2877,4257,80,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton1ethylamine,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
2878,4255,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.4448464,ISDB,GJHTVUOIDXUACV-UDHZNOBRSA-N,"InChI=1S/C20H18O10/c21-8-2-1-7(3-9(8)22)14-5-12(25)15-10(23)4-11(24)16(19(15)30-14)20-18(28)17(27)13(26)6-29-20/h1-5,13,17-18,20-24,26-28H,6H2/t13-,17-,18?,20-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3OC[C@H](O)[C@H](O)C3O)c(O)cc(O)c12,C20H18O10,,418.089996776,GJHTVUOIDXUACV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Mucuna sempervirens,404085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Mucuna'],['Mucuna sempervirens'],4,3,7.279385566711426
2879,4253,-1,,,,0.0,MS1_match,BURUDCAXNNYPGK-DODNOZFWSA-N,"InChI=1S/C23H22O12/c1-9(24)32-8-18-20(29)21(30)22(31)23(35-18)33-11-5-14(27)19-15(28)7-16(34-17(19)6-11)10-2-3-12(25)13(26)4-10/h2-7,18,20-23,25-27,29-31H,8H2,1H3/t18-,20-,21+,22-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,BURUDCAXNNYPGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2880,4253,-1,,,,0.0,MS1_match,HQMTTYQGJHZECZ-VYPWRWJZSA-N,"InChI=1S/C23H22O12/c1-9(24)32-8-16-18(28)19(29)21(31)23(35-16)34-15-7-14-12(6-13(15)26)17(27)20(30)22(33-14)10-2-4-11(25)5-3-10/h2-7,16,18-19,21,23,25-26,28-31H,8H2,1H3/t16-,18-,19+,21-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.111126144,HQMTTYQGJHZECZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
2881,4253,-1,,,,0.0,MS1_match,HQMTTYQGJHZECZ-VYPWRWJZSA-N,"InChI=1S/C23H22O12/c1-9(24)32-8-16-18(28)19(29)21(31)23(35-16)34-15-7-14-12(6-13(15)26)17(27)20(30)22(33-14)10-2-4-11(25)5-3-10/h2-7,16,18-19,21,23,25-26,28-31H,8H2,1H3/t16-,18-,19+,21-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)c(O)c(=O)c3cc2O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.111126144,HQMTTYQGJHZECZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
2882,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-RQZVMEALSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19+,21-,23+/m1/s1",COC(=O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)[C@@H](O)[C@H](O)[C@H]1O,C23H22O12,pos_1_1proton,490.111126144,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea furfuracea,3894041.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea furfuracea'],7,0,7.0
2883,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-UHFFFAOYSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3",COC(=O)C1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)C(O)C(O)C1O,C23H22O12,pos_1_1proton,490.111126144,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
2884,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-VLXBDIDVSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19+,21-,23+/m0/s1",COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,0,7.0
2885,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-VLXBDIDVSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19+,21-,23+/m0/s1",COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,0,7.0
2886,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-RQZVMEALSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19+,21-,23+/m1/s1",COC(=O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)[C@@H](O)[C@H](O)[C@H]1O,C23H22O12,pos_1_1proton,490.111126144,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea furfuracea,3894041.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea furfuracea'],7,0,7.0
2887,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-UHFFFAOYSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3",COC(=O)C1OC(Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)C(O)C(O)C1O,C23H22O12,pos_1_1proton,490.111126144,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
2888,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-VLXBDIDVSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19+,21-,23+/m0/s1",COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,0,7.0
2889,4253,-1,,,,0.0,MS1_match,FAWDUWSALXIKNE-VLXBDIDVSA-N,"InChI=1S/C23H22O12/c1-31-20-14(34-23-19(29)17(27)18(28)21(35-23)22(30)32-2)8-13-15(16(20)26)11(25)7-12(33-13)9-3-5-10(24)6-4-9/h3-8,17-19,21,23-24,26-29H,1-2H3/t17-,18-,19+,21-,23+/m0/s1",COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2OC)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,FAWDUWSALXIKNE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,0,7.0
2890,4253,-1,,,,0.0,MS1_match,BURUDCAXNNYPGK-DODNOZFWSA-N,"InChI=1S/C23H22O12/c1-9(24)32-8-18-20(29)21(30)22(31)23(35-18)33-11-5-14(27)19-15(28)7-16(34-17(19)6-11)10-2-3-12(25)13(26)4-10/h2-7,18,20-23,25-27,29-31H,8H2,1H3/t18-,20-,21+,22-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,BURUDCAXNNYPGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2891,4253,-1,,,,0.0,MS1_match,BURUDCAXNNYPGK-DODNOZFWSA-N,"InChI=1S/C23H22O12/c1-9(24)32-8-18-20(29)21(30)22(31)23(35-18)33-11-5-14(27)19-15(28)7-16(34-17(19)6-11)10-2-3-12(25)13(26)4-10/h2-7,18,20-23,25-27,29-31H,8H2,1H3/t18-,20-,21+,22-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,BURUDCAXNNYPGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2892,4253,-1,,,,0.0,MS1_match,VGKIYBXQHZAJLY-USFRMQJTSA-N,"InChI=1S/C23H22O12/c1-31-20-15(26)14-12(25)7-11(8-13(14)34-19(20)9-3-5-10(24)6-4-9)33-23-18(29)16(27)17(28)21(35-23)22(30)32-2/h3-8,16-18,21,23-25,27-29H,1-2H3/t16-,17-,18+,21-,23+/m0/s1",COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)c(OC)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.111126144,VGKIYBXQHZAJLY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea furfuracea,3894041.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea furfuracea'],7,0,7.0
2893,4253,-1,,,,0.0,MS1_match,BURUDCAXNNYPGK-DODNOZFWSA-N,"InChI=1S/C23H22O12/c1-9(24)32-8-18-20(29)21(30)22(31)23(35-18)33-11-5-14(27)19-15(28)7-16(34-17(19)6-11)10-2-3-12(25)13(26)4-10/h2-7,18,20-23,25-27,29-31H,8H2,1H3/t18-,20-,21+,22-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O12,pos_1_1proton,490.1111261439998,BURUDCAXNNYPGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2894,4252,851,Amino acids and Peptides,Small peptides,Aminoacids,0.42335397,ISDB,IMOBSLOLPCWZKQ-ZETCQYMHSA-N,"InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1",CN(C)[C@@H](Cc1cnc[nH]1)C(=O)O,C8H13N3O2,,183.100776656,IMOBSLOLPCWZKQ,Amino acids and Peptides,Small peptides,Aminoacids,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,3,3.193415880203247
2895,4252,851,Amino acids and Peptides,Small peptides,Aminoacids,0.42335397,ISDB,IMOBSLOLPCWZKQ-ZETCQYMHSA-N,"InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1",CN(C)[C@@H](Cc1cnc[nH]1)C(=O)O,C8H13N3O2,,183.100776656,IMOBSLOLPCWZKQ,Amino acids and Peptides,Small peptides,Aminoacids,Schizosaccharomyces pombe,990004.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Schizosaccharomycetes'],['Schizosaccharomycetales'],['Schizosaccharomycetaceae'],['Unknown'],['Schizosaccharomyces'],['Schizosaccharomyces pombe'],0,3,3.193415880203247
2896,4252,851,Amino acids and Peptides,Small peptides,Aminoacids,0.42335397,ISDB,IMOBSLOLPCWZKQ-ZETCQYMHSA-N,"InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1",CN(C)[C@@H](Cc1cnc[nH]1)C(=O)O,C8H13N3O2,,183.100776656,IMOBSLOLPCWZKQ,Amino acids and Peptides,Small peptides,Aminoacids,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],0,3,3.193415880203247
2897,4250,-1,,,,0.47703817,ISDB,,,,,,,MRKQZIXMEQPHNQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.90815269947052
2898,4248,111,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.48190722,ISDB,MRDLTMOGBXPNAR-ISHSZONUSA-N,"InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h15-16,24,26H,5-14,17-23H2,1-4H3/b16-15-/t24-/m0/s1",CCCCCCCCCCC/C=C\CCCOC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C24H50NO6P,,479.33757495,MRDLTMOGBXPNAR,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,3.4276288747787476
2899,4247,-1,,,,0.32927215,ISDB,XUBVCJMVRGITPS-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c1-16-9-6-7-2-4-13-8-3-5-14-11(10(7)8)12(9)15/h2-6,14-15H,1H3",COc1cc2ccnc3c2c(c1O)NC=C3,C12H10N2O2,,214.07422756,XUBVCJMVRGITPS,Alkaloids,Tryptophan alkaloids,,Aaptos aaptos,662725.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Suberitidae'],['Unknown'],['Aaptos'],['Aaptos aaptos'],2,0,3.3170886039733887
2900,4247,-1,,,,0.32927215,ISDB,XUBVCJMVRGITPS-UHFFFAOYSA-N,"InChI=1S/C12H10N2O2/c1-16-9-6-7-2-4-13-8-3-5-14-11(10(7)8)12(9)15/h2-6,14-15H,1H3",COc1cc2ccnc3c2c(c1O)NC=C3,C12H10N2O2,,214.07422756,XUBVCJMVRGITPS,Alkaloids,Tryptophan alkaloids,,Aaptos suberitoides,791294.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Suberitidae'],['Unknown'],['Aaptos'],['Aaptos suberitoides'],2,0,3.3170886039733887
2901,4246,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SFNFQCXADNWOCI-KETMJRJWSA-N,"InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(41-15)18-12(31)6-14-17(21(18)34)11(30)5-13(40-14)9-1-3-10(4-2-9)39-27-25(38)23(36)20(33)16(8-29)42-27/h1-6,15-16,19-20,22-29,31-38H,7-8H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1proton,594.15847026,SFNFQCXADNWOCI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
2902,4246,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,FIAAVMJLAGNUKW-KZBKGRIKSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18+,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1proton,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
2903,4245,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49709135,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio linifolius,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.988365411758423
2904,4245,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49709135,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio mitophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.988365411758423
2905,4245,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49709135,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio odontophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.988365411758423
2906,4242,42,Amino acids and Peptides,Tryptophan alkaloids,Pyridine alkaloids,0.0,MS1_match,COLNVLDHVKWLRT-MRVPVSSYSA-N,"InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1",N[C@H](Cc1ccccc1)C(=O)O,C9H11NO2,pos_1_minus1proton2potassium,165.078978592,COLNVLDHVKWLRT,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
2907,4242,42,Amino acids and Peptides,Tryptophan alkaloids,Pyridine alkaloids,0.0,MS1_match,XWKAVQKJQBISOL-ZETCQYMHSA-N,"InChI=1S/C9H11NO2/c1-7(9(11)12)10-8-5-3-2-4-6-8/h2-7,10H,1H3,(H,11,12)/t7-/m0/s1",C[C@H](Nc1ccccc1)C(=O)O,C9H11NO2,pos_1_minus1proton2potassium,165.078978592,XWKAVQKJQBISOL,Amino acids and Peptides,Small peptides,Aminoacids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
2908,4239,-1,,,,0.0,MS1_match,WBKUQZJRZIYAJL-XVCFHNOMSA-N,"InChI=1S/C48H54O27/c49-13-22(56)30(57)36(63)35(62)27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(68)47(72,43(28)70)45-39(66)37(64)31(58)23(14-50)74-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(69)48(73,44(29)71)46-40(67)38(65)32(59)24(15-51)75-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-73H,13-15H2/b11-5+,12-6+/t22-,23-,24-,30-,31-,32-,35+,36+,37+,38+,39-,40-,45-,46-,47-,48-/m1/s1",O=C(/C=C/c1ccc(O)cc1)C1=C(O)[C@](O)([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C(C(C2=C(O)[C@@](O)([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C(C(=O)/C=C/c3ccc(O)cc3)C2=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C1=O,C48H54O27,pos_3_3sodium,1062.285246468,WBKUQZJRZIYAJL,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2909,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
2910,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
2911,4239,-1,,,,0.0,MS1_match,GWTUHAXUUFROTF-DUXPYHPUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1sodium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2912,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,0,7.0
2913,4239,-1,,,,0.0,MS1_match,GWTUHAXUUFROTF-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)",O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1sodium,354.095082156,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2914,4239,-1,,,,0.0,MS1_match,GWTUHAXUUFROTF-DUXPYHPUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1sodium,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2915,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
2916,4239,-1,,,,0.0,MS1_match,GWTUHAXUUFROTF-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)",O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1sodium,354.095082156,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2917,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
2918,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
2919,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2920,4239,-1,,,,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],7,0,7.0
2921,4239,-1,,,,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea hieracioides,40090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea hieracioides'],7,0,7.0
2922,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2923,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2924,4239,-1,,,,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
2925,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,0,7.0
2926,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
2927,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2928,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
2929,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,0,7.0
2930,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,0,7.0
2931,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
2932,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
2933,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2934,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2935,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2936,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2937,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
2938,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,0,7.0
2939,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
2940,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
2941,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2942,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
2943,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2944,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
2945,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
2946,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
2947,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],7,0,7.0
2948,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,0,7.0
2949,4239,-1,,,,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
2950,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
2951,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,0,7.0
2952,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
2953,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
2954,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,0,7.0
2955,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
2956,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,0,7.0
2957,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,0,7.0
2958,4239,-1,,,,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
2959,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,0,7.0
2960,4239,-1,,,,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea hieracioides,40090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea hieracioides'],7,0,7.0
2961,4239,-1,,,,0.0,MS1_match,SGTCGCCQZOUMJJ-YMILTQATSA-N,"InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1",COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,SGTCGCCQZOUMJJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],7,0,7.0
2962,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,0,7.0
2963,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],7,0,7.0
2964,4239,-1,,,,0.0,MS1_match,STJDRLLBELOEQZ-IFBMSHHFSA-N,"InChI=1S/C48H54O27/c49-13-22(56)30(57)36(63)35(62)27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(68)47(72,43(28)70)45-39(66)37(64)31(58)23(14-50)74-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(69)48(73,44(29)71)46-40(67)38(65)32(59)24(15-51)75-46/h1-12,22-24,27,30-32,35-40,45-46,49-67,72-73H,13-15H2/b11-5-,12-6+,25-20-,26-21-",O=C1C(C(C2=C(O)/C(=C(O)\C=C\c3ccc(O)cc3)C(=O)C(O)(C3OC(CO)C(O)C(O)C3O)C2=O)C(O)C(O)C(O)C(O)CO)=C(O)/C(=C(O)\C=C/c2ccc(O)cc2)C(=O)C1(O)C1OC(CO)C(O)C(O)C1O,C48H54O27,pos_3_3sodium,1062.285246468,STJDRLLBELOEQZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
2965,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
2966,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
2967,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2968,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
2969,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
2970,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
2971,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2972,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1sodium,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,0,7.0
2973,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2974,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
2975,4239,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
2976,4238,125,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,RXGUTQNKCXHALN-BJMVGYQFSA-N,"InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+",O=C(/C=C/c1ccc(O)cc1)NCCc1ccc(O)cc1,C17H17NO3,pos_1_minus1proton1magnesium,283.120843404,RXGUTQNKCXHALN,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],6,0,6.0
2977,4237,-1,,,,0.83090436,ISDB,,,,,,,KYRMDYHFFNNERA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.323617458343506
2978,4234,590,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,VNCQCPQAMDQEBY-YTJHIPEWSA-N,"InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O6,pos_1_minus1proton2sodium,362.1729385519999,VNCQCPQAMDQEBY,Terpenoids,Diterpenoids,Gibberellins,Agrostemma githago,689981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma githago'],6,0,6.0
2979,4234,590,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,VNCQCPQAMDQEBY-YTJHIPEWSA-N,"InChI=1S/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O6,pos_1_minus1proton2sodium,362.1729385519999,VNCQCPQAMDQEBY,Terpenoids,Diterpenoids,Gibberellins,Agrostemma githago,689981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Agrostemma'],['Agrostemma githago'],6,0,6.0
2980,4233,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_2_2proton,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2981,4233,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_2_2proton,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
2982,4231,-1,,,,0.62364095,ISDB,QIMVLWYRLMXOML-JEVJTUMJSA-N,"InChI=1S/C18H28O3/c1-14(2)8-5-12-17(18(20)21)13-7-10-15(3)9-6-11-16(4)19/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/b15-9+,17-13-",CC(=O)CC/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)O,C18H28O3,,292.203844756,QIMVLWYRLMXOML,Terpenoids,,,Litophyton chabrolii,3679698.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Litophyton'],['Litophyton chabrolii'],2,0,4.494563817977905
2983,4230,357,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.4556984,ISDB,NGCDCAZRAVJIKV-AYJWMTRPSA-N,"InChI=1S/C18H26N2O2/c1-3-15(2)18(22)20-14-8-7-13-19-17(21)12-11-16-9-5-4-6-10-16/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,19,21)(H,20,22)/b12-11+/t15-/m1/s1",CC[C@@H](C)C(=O)NCCCCNC(=O)/C=C/c1ccccc1,C18H26N2O2,,302.199428072,NGCDCAZRAVJIKV,Alkaloids,Ornithine alkaloids,Polyamines,Aglaia archboldiana,627550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia archboldiana'],1,1,3.3227936029434204
2984,4230,357,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.4556984,ISDB,NGCDCAZRAVJIKV-RUMSDORHSA-N,"InChI=1S/C18H26N2O2/c1-3-15(2)18(22)20-14-8-7-13-19-17(21)12-11-16-9-5-4-6-10-16/h4-6,9-12,15H,3,7-8,13-14H2,1-2H3,(H,19,21)(H,20,22)/b12-11+/t15-/m0/s1",CC[C@H](C)C(=O)NCCCCNC(=O)/C=C/c1ccccc1,C18H26N2O2,,302.199428072,NGCDCAZRAVJIKV,Alkaloids,Ornithine alkaloids,Polyamines,Aglaia gracilis,6124707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aglaia'],['Aglaia gracilis'],1,1,3.3227936029434204
2985,4229,-1,,,,0.9657294,ISDB,PUPACQJMSZEBOJ-CEFVDNRUSA-N,"InChI=1S/C15H20O2/c1-8-5-10(16)12-11(8)13(17)14(2,3)6-9-7-15(9,12)4/h8-9H,5-7H2,1-4H3/t8-,9+,15-/m1/s1",C[C@@H]1CC(=O)C2=C1C(=O)C(C)(C)C[C@H]1C[C@@]21C,C15H20O2,,232.14632988,PUPACQJMSZEBOJ,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Lippia integrifolia,812012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lippia'],['Lippia integrifolia'],4,0,7.86291766166687
2986,4228,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7428996,ISDB,PDIGSOAOQOXRDU-WJPZTBRDSA-N,"InChI=1S/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-/t27-/m1/s1",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C28H48NO7P,,541.316839506,PDIGSOAOQOXRDU,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.471598386764526
2987,4225,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47259298,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,10.390371918678284
2988,4225,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47259298,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.390371918678284
2989,4225,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47259298,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,10.390371918678284
2990,4225,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47259298,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.390371918678284
2991,4225,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47259298,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cirsium carolinianum,3894747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium carolinianum'],7,3,10.390371918678284
2992,4225,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47259298,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,10.390371918678284
2993,4225,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47259298,ISDB,NETSQGRTUNRXEO-UHFFFAOYSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2",C=C1C(=O)OC2C1CCC(=C)C1CCC(=C)C12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.390371918678284
2994,4224,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.41420642,ISDB,AQQFWSYLUDMDBP-ODEMIOGVSA-N,"InChI=1S/C28H32O16/c1-40-14-4-9(2-3-10(14)31)13-5-11(32)18-15(41-13)6-12(33)19(22(18)36)26-27(24(38)21(35)16(7-29)42-26)44-28-25(39)23(37)20(34)17(8-30)43-28/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3/t16-,17-,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1",COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O,C28H32O16,,624.169034944,AQQFWSYLUDMDBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,9.15682566165924
2995,4223,111,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.44992062,ISDB,RQCNXHQIZGDHRA-RUZDIDTESA-N,"InChI=1S/C25H54NO6P/c1-24(2)18-16-14-12-10-8-6-7-9-11-13-15-17-20-30-22-25(27)23-32-33(28,29)31-21-19-26(3,4)5/h24-25,27H,6-23H2,1-5H3/t25-/m1/s1",CC(C)CCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C25H54NO6P,,495.368875078,RQCNXHQIZGDHRA,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,3.2996824979782104
2996,4222,334,Terpenoids,Triterpenoids,Cholestane steroids,0.44264755,ISDB,XWHBTBBUPBKDBB-IZDHLYCQSA-N,"InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H44O2,,424.334130648,XWHBTBBUPBKDBB,Terpenoids,Steroids,Cholestane steroids,Friesodielsia velutina,3867716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Friesodielsia'],['Friesodielsia velutina'],4,3,7.27059018611908
2997,4222,334,Terpenoids,Triterpenoids,Cholestane steroids,0.44264755,ISDB,XWHBTBBUPBKDBB-IZDHLYCQSA-N,"InChI=1S/C29H44O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h8-9,16,18-20,22-25H,7,10-15,17H2,1-6H3/b9-8+/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H44O2,,424.334130648,XWHBTBBUPBKDBB,Terpenoids,Steroids,Cholestane steroids,Conium maculatum,1001039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Conium'],['Conium maculatum'],4,3,7.27059018611908
2998,4220,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBSLELZDPSOGAN-CZHQAMEJSA-N,"InChI=1S/C19H20O5/c1-22-17-11-13(6-7-15(17)21)18-19(23-2)14-10-12(4-3-9-20)5-8-16(14)24-18/h3-8,10-11,18-21H,9H2,1-2H3/b4-3+/t18-,19+/m0/s1",COc1cc([C@@H]2Oc3ccc(/C=C/CO)cc3[C@H]2OC)ccc1O,C19H20O5,pos_1_1proton1acetonitrile,328.13107374,QBSLELZDPSOGAN,Shikimates and Phenylpropanoids,,,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
2999,4220,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GCSCOZFAGAICKH-VLKOAHQCSA-N,"InChI=1S/C19H20O5/c1-9(2)17(21)23-16-13-10(3)8-22-14(13)15(20)19-12(24-19)7-6-11(4)18(16,19)5/h6-8,11-12,16H,1H2,2-5H3/t11-,12-,16+,18+,19+/m0/s1",C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2C=C[C@H](C)[C@]13C,C19H20O5,pos_1_1proton1acetonitrile,328.13107374,GCSCOZFAGAICKH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio mauricei,6056944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio mauricei'],6,2,7.0
3000,4220,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YHDIZVVHFZZTPO-DCLMNAJPSA-N,"InChI=1S/C19H20O5/c1-8(2)18(21)23-13-7-10(4)14-12(20)6-9(3)15(14)17-16(13)11(5)19(22)24-17/h9,13,16-17H,1,4-7H2,2-3H3/t9-,13+,16-,17-/m1/s1",C=C(C)C(=O)O[C@H]1CC(=C)C2=C([C@H](C)CC2=O)[C@H]2OC(=O)C(=C)[C@H]12,C19H20O5,pos_1_1proton1acetonitrile,328.1310737399999,YHDIZVVHFZZTPO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Elephantopus mollis,327306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Elephantopus'],['Elephantopus mollis'],6,2,7.0
3001,4215,-1,,,,0.5087487,ISDB,,,,,,,RSPXQTWHPQFCDQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.0349948406219482
3002,4213,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.36144185,ISDB,PPUIITGCHQYTHL-UHFFFAOYSA-N,"InChI=1S/C14H24N2O/c1-10(2)15-8-13(17)9-16-14-6-5-11(3)7-12(14)4/h5-7,10,13,15-17H,8-9H2,1-4H3",Cc1ccc(NCC(O)CNC(C)C)c(C)c1,C14H24N2O,,236.188863388,PPUIITGCHQYTHL,Alkaloids,Pseudoalkaloids,Phenylalanine-derived alkaloids,Flavoparmelia caperata,733706.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Flavoparmelia'],['Flavoparmelia caperata'],1,1,2.945767402648926
3003,4212,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.21589318,ISDB,MNQQDRMNWCFBMZ-NMPXUDJTSA-N,"InChI=1S/C32H38O20/c33-7-16-20(38)23(41)26(44)31(50-16)48-12-5-13(35)18-15(6-12)49-28(10-1-3-11(34)4-2-10)29(22(18)40)52-32-27(45)24(42)21(39)17(51-32)9-47-30-25(43)19(37)14(36)8-46-30/h1-6,14,16-17,19-21,23-27,30-39,41-45H,7-9H2/t14-,16+,17+,19-,20+,21+,23-,24-,25+,26+,27+,30-,31+,32-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C32H38O20,,742.195643616,MNQQDRMNWCFBMZ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],4,2,5.863572716712952
3004,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
3005,4207,-1,,,,0.0,MS1_match,JZLNEGYYSYMRBG-IATJYDTKSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15-,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
3006,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
3007,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
3008,4207,-1,,,,0.0,MS1_match,QEVHLUKQJLJTFL-GGSLXBGOSA-N,"InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-14(19)16-11(2)17(20)22-15(16)7-10/h5,8,14-16,19H,2,4,6-7,9H2,1,3H3/b10-5+,13-8-/t14-,15+,16+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(COC(C)=O)=C/[C@@H](O)[C@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,QEVHLUKQJLJTFL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea seridis,539755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea polyacantha'],7,0,7.0
3009,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
3010,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
3011,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
3012,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,0,7.0
3013,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
3014,4207,-1,,,,0.0,MS1_match,JZLNEGYYSYMRBG-KLOLGFOXSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15+,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
3015,4207,-1,,,,0.0,MS1_match,BKQBPJIALFPDKG-UBJMXQSSSA-N,"InChI=1S/C17H22O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h9,11-16,19H,1-2,5-6H2,3-4H3/t9-,11+,12+,13+,14+,15-,16-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,BKQBPJIALFPDKG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
3016,4207,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3017,4207,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-KNFRCYCHSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3/t8-,9+,11+,13+,14+,15-,16-/m1/s1",C=C1C[C@H](OC(C)=O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3018,4207,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
3019,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
3020,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
3021,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
3022,4207,-1,,,,0.0,MS1_match,GAWSNXBLUNVZCK-UHFFFAOYSA-N,"InChI=1S/C17H18O5/c1-21-14-7-4-11(5-8-14)3-6-12-9-13(18)10-15(22-2)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20)",COc1ccc(CCc2cc(O)cc(OC)c2C(=O)O)cc1,C17H18O5,pos_1_1proton1ethylamine,302.115423676,GAWSNXBLUNVZCK,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,0,7.0
3023,4207,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3024,4207,-1,,,,0.0,MS1_match,PHJYCLCTXRJHJZ-SMLCLMEVSA-N,"InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2/t13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,PHJYCLCTXRJHJZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
3025,4207,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3026,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
3027,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,0,7.0
3028,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
3029,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
3030,4207,-1,,,,0.0,MS1_match,PENVAWWEHIPEFZ-GQGLPCBOSA-N,"InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-15-16(14(19)7-10)11(2)17(20)22-15/h5,8,14-16,19H,2,4,6-7,9H2,1,3H3/b10-5+,13-8+/t14-,15-,16+/m0/s1",C=C1C(=O)O[C@H]2/C=C(/COC(C)=O)CC/C=C(\C)C[C@H](O)[C@@H]12,C17H22O5,pos_1_1proton1acetonitrile,306.146723804,PENVAWWEHIPEFZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3031,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3032,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea linifolia,528737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea linifolia'],7,0,7.0
3033,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
3034,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
3035,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
3036,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
3037,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,0,7.0
3038,4207,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ammonium,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
3039,4203,403,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,0.0,MS1_match,XXWIUGNNANJILR-SNVBAGLBSA-N,"InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,10,12H/t10-/m1/s1",O=C1C=C(c2ccccc2)[C@H](O)O1,C10H8O3,pos_1_1proton,176.047344116,XXWIUGNNANJILR,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],6,3,7.5
3040,4202,-1,,,,0.0,MS1_match,XNTVDVXTGHDVAF-HDAAZOAOSA-N,"InChI=1S/C21H30O2/c1-15-10-11-18-20(2,3)19(22)12-13-21(18,4)17(15)14-23-16-8-6-5-7-9-16/h5-10,17-19,22H,11-14H2,1-4H3/t17-,18+,19-,21+/m1/s1",CC1=CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1COc1ccccc1,C21H30O2,pos_1_minus1proton1iron,314.2245802,XNTVDVXTGHDVAF,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Brocchia cinerea,997914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cotula'],['Cotula cinerea'],6,0,6.0
3041,4202,-1,,,,0.0,MS1_match,RJKFOVLPORLFTN-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,RJKFOVLPORLFTN,Terpenoids,Steroids,Pregnane steroids,Cota palaestina,112205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Cota'],['Cota palaestina'],6,0,6.0
3042,4202,-1,,,,0.0,MS1_match,RJKFOVLPORLFTN-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,RJKFOVLPORLFTN,Terpenoids,Steroids,Pregnane steroids,Jacobaea erucifolia,117046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea erucifolia'],6,0,6.0
3043,4202,-1,,,,0.0,MS1_match,RJKFOVLPORLFTN-LEKSSAKUSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1",CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_1_minus1proton1iron,314.2245802,RJKFOVLPORLFTN,Terpenoids,Steroids,Pregnane steroids,Jacobaea argunensis,47004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea argunensis'],6,0,6.0
3044,4202,-1,,,,0.0,MS1_match,PFXVOQOTPKYRIK-WFXUTCRTSA-N,"InChI=1S/C16H26O8/c1-5-9(4)15(21)22-7-10-12(18)13(19)14(20)16(23-10)24-11(17)6-8(2)3/h5,8,10,12-14,16,18-20H,6-7H2,1-4H3/b9-5+/t10-,12-,13+,14-,16+/m1/s1",C/C=C(\C)C(=O)OC[C@H]1O[C@@H](OC(=O)CC(C)C)[C@H](O)[C@@H](O)[C@@H]1O,C16H26O8,pos_1_1sodium,346.162767792,PFXVOQOTPKYRIK,,,,Picradeniopsis schaffneri,3899605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Picradeniopsis'],['Picradeniopsis schaffneri'],6,0,6.0
3045,4202,-1,,,,0.0,MS1_match,XOEAXQFWXCUHKH-SDVVVSBISA-N,"InChI=1S/C16H26O8/c1-5-8(4)16(22)24-15-13(21)11(19)10(18)12(20)14(15)23-9(17)6-7(2)3/h5,7,10-15,18-21H,6H2,1-4H3/b8-5-/t10-,11-,12+,13+,14+,15-/m0/s1",C/C=C(/C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC(=O)CC(C)C,C16H26O8,pos_1_1sodium,346.1627677919999,XOEAXQFWXCUHKH,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Hymenoxys texana,3900043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Hymenoxys'],['Hymenoxys texana'],6,0,6.0
3046,4199,102,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,LWBDYAJQTBSCET-RUZDIDTESA-N,"InChI=1S/C25H27NO5/c1-5-6-11-29-25-22-16(9-10-19(27-3)24(22)28-4)17-8-7-15-12-20-21(31-14-30-20)13-18(15)23(17)26(25)2/h7-10,12-13,25H,5-6,11,14H2,1-4H3/t25-/m1/s1",CCCCO[C@@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4,C25H27NO5,pos_1_minus1proton1calcium,421.1889229639999,LWBDYAJQTBSCET,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya microcarpa,274600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya microcarpa'],6,3,7.5
3047,4197,-1,,,,0.0,MS1_match,ZIDPMOJLGOVEHH-LBYDUXNVSA-N,"InChI=1S/C29H44O5/c1-17(16-30)6-9-25(33)18(2)27-26(34-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h14,17-18,22-24,26-27,30H,6-13,15-16H2,1-5H3/t17?,18-,22-,23+,24+,26-,27+,28+,29+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO,C29H44O5,pos_1_minus1proton1iron,472.318874508,ZIDPMOJLGOVEHH,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,8.0
3048,4197,-1,,,,0.0,MS1_match,LHLXRPHIRHMTFQ-YWHRRUEGSA-N,"InChI=1S/C29H44O5/c1-16-6-11-29(32-15-16)17(2)26-25(34-29)14-22-20-13-24(31)23-12-19(33-18(3)30)7-9-27(23,4)21(20)8-10-28(22,26)5/h16-17,19-23,25-26H,6-15H2,1-5H3/t16-,17+,19+,20-,21+,22+,23-,25+,26+,27-,28+,29-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)O[C@]1(CC[C@@H](C)CO1)[C@H]3C,C29H44O5,pos_1_minus1proton1iron,472.318874508,LHLXRPHIRHMTFQ,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,0,8.0
3049,4196,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6682266,ISDB,YZBZORUZOSCZRN-YWHLHSFDSA-N,"InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14?/t16-/m0/s1",CC/C=C\C[C@@H]1OC1=C/C=C\CCCCCCCC(=O)O,C18H28O3,,292.203844756,YZBZORUZOSCZRN,Fatty acids,Octadecanoids,Other Octadecanoids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,1,5.172906398773193
3050,4194,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RSQSQJNRHICNNH-UHFFFAOYSA-N,"InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCC(O)C(C)(C(=O)O1)C2C3C(=O)O,C19H24O5,pos_2MFe,332.1623738679999,RSQSQJNRHICNNH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3051,4194,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_2MFe,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3052,4194,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OXFPYCSNYOFUCH-KQBHUUJHSA-N,"InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_2MFe,332.1623738679999,OXFPYCSNYOFUCH,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3053,4194,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HHDWSDSMWJQURA-MHKXYFPYSA-N,"InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12C[C@H](O)C[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O,C19H24O5,pos_2MFe,332.162373868,HHDWSDSMWJQURA,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3054,4193,307,Terpenoids,Aromatic polyketides,Catechols with side chains,0.0,MS1_match,PVDSMCHCJKSFPO-UHFFFAOYSA-N,"InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(28)29-20-15-16-22-18-19-23(26)24(27)21-22/h18-19,21,26-27H,2-17,20H2,1H3",CCCCCCCCCCCCCCCC(=O)OCCCc1ccc(O)c(O)c1,C25H42O4,pos_1_1proton1methanol,406.308309824,PVDSMCHCJKSFPO,Polyketides,Aromatic polyketides,Catechols with side chains,Phonus arborescens,180785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Phonus'],['Phonus arborescens'],7,3,8.5
3055,4191,12,Terpenoids,Diterpenoids,Labdane diterpenoids,0.32111365,ISDB,QPIUBKNTZMBLLI-ZEWQPTNTSA-N,"InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18+,19-,20+,22-/m0/s1",CC(=O)O[C@H]1C/C(C)=C/CC[C@H](C)/C=C/[C@@]2(C)CC[C@@H](C(C)(C)O)[C@H]12,C22H36O3,,348.266445012,QPIUBKNTZMBLLI,Terpenoids,Diterpenoids,Dolabellane diterpenoids,Dolabella californica,2884060.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Anaspidea'],['Aplysiidae'],['Unknown'],['Dolabella'],['Dolabella californica'],4,2,6.284454584121704
3056,4190,-1,,,,0.0,MS1_match,NVWOXHIJJRKUQA-RUFJGOCRSA-N,"InChI=1S/C27H44O9/c1-22(2,33)9-8-18(29)25(5,34)17-7-11-26(35)15-12-19(30)27(36)13-16(28)20(31)21(32)24(27,4)14(15)6-10-23(17,26)3/h12,14,16-18,20-21,28-29,31-36H,6-11,13H2,1-5H3/t14-,16+,17-,18+,20+,21+,23+,24-,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C,C27H44O9,pos_1_1sodium,512.298532988,NVWOXHIJJRKUQA,Terpenoids,Steroids,Ecdysteroids,Silene brahuica,6037199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene brahuica'],6,0,6.0
3057,4190,-1,,,,0.0,MS1_match,FVXSLSHKONBKBF-HEEVUBGMSA-N,"InChI=1S/C27H44O9/c1-22(33,14-28)8-7-20(31)25(4,34)19-6-10-26(35)16-11-21(32)27(36)13-18(30)17(29)12-24(27,3)15(16)5-9-23(19,26)2/h11,15,17-20,28-31,33-36H,5-10,12-14H2,1-4H3/t15-,17-,18+,19-,20+,22?,23+,24+,25+,26+,27+/m0/s1",CC(O)(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O9,pos_1_1sodium,512.298532988,FVXSLSHKONBKBF,Terpenoids,Steroids,Ecdysteroids,Silene nutans,577235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene nutans'],6,0,6.0
3058,4190,-1,,,,0.0,MS1_match,FVXSLSHKONBKBF-JLYQHRMESA-N,"InChI=1S/C27H44O9/c1-22(33,14-28)8-7-20(31)25(4,34)19-6-10-26(35)16-11-21(32)27(36)13-18(30)17(29)12-24(27,3)15(16)5-9-23(19,26)2/h11,15,17-20,28-31,33-36H,5-10,12-14H2,1-4H3/t15-,17-,18+,19-,20+,22-,23+,24+,25+,26+,27+/m0/s1",C[C@@](O)(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O9,pos_1_1sodium,512.298532988,FVXSLSHKONBKBF,Terpenoids,Steroids,Ecdysteroids,Silene viridiflora,279246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene viridiflora'],6,0,6.0
3059,4190,-1,,,,0.0,MS1_match,GHCGVFIICXLSSM-GVMDTIHJSA-N,"InChI=1S/C27H44O9/c1-23(2,34)19(30)12-20(31)26(5,35)18-7-9-27(36)14-10-16(28)15-11-17(29)21(32)22(33)25(15,4)13(14)6-8-24(18,27)3/h10,13,15,17-22,29-36H,6-9,11-12H2,1-5H3/t13-,15-,17+,18-,19+,20-,21+,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)[C@H](O)C[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C,C27H44O9,pos_1_1sodium,512.2985329879998,GHCGVFIICXLSSM,Terpenoids,Steroids,Ecdysteroids,Silene nutans,577235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene nutans'],6,0,6.0
3060,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,2,7.0
3061,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea broussonetiifolia,6117054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea broussonetiifolia'],6,2,7.0
3062,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea armeniaca,447106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea armeniaca'],6,2,7.0
3063,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],6,2,7.0
3064,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,2,7.0
3065,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,2,7.0
3066,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,2,7.0
3067,4189,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1acetonitrile,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,2,7.0
3068,4188,-1,,,,0.43620902,ISDB,UVAVWWCPGAHKIW-QVMRCSLBSA-N,"InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h13,15,17-18,20,23-26H,3,7-12,14,16H2,1-2,4-6H3/t20-,23+,24-,25+,26+,27+,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C28H42O,,394.323565964,UVAVWWCPGAHKIW,Terpenoids,Steroids,Ergostane steroids,Dendronephthya studeri,3679477.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Dendronephthya'],['Dendronephthya studeri'],2,0,3.7448360919952393
3069,4187,87,Shikimates and Phenylpropanoids,Lignans,Cinnamic acids and derivatives,0.5633191,ISDB,AUJXJFHANFIVKH-UHFFFAOYSA-N,"InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3",COC(=O)C=Cc1ccc(O)c(OC)c1,C11H12O4,,208.073558864,AUJXJFHANFIVKH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eutrema japonicum,185264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema japonicum'],6,3,9.753276348114014
3070,4186,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.76074624,ISDB,VXUOFDJKYGDUJI-OAQYLSRUSA-N,"InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/t21-/m1/s1",CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C22H46NO7P,,467.3011894419999,VXUOFDJKYGDUJI,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],0,3,4.542984962463379
3071,4184,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWTIXVAPAPFDDA-GKEPXYRYSA-N,"InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)12-4-10(23)15-13(30-12)5-14(17(26)18(15)27)31-20-19(28)16(25)11(24)6-29-20/h1-5,11,16,19-22,24-28H,6H2/t11-,16+,19+,20-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)c(O)c(O)c12,C20H18O11,pos_1_1proton1methanol,434.084911396,MWTIXVAPAPFDDA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica linifolia,88309.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica linifolia'],8,2,9.0
3072,4184,394,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MWTIXVAPAPFDDA-GKEPXYRYSA-N,"InChI=1S/C20H18O11/c21-8-2-1-7(3-9(8)22)12-4-10(23)15-13(30-12)5-14(17(26)18(15)27)31-20-19(28)16(25)11(24)6-29-20/h1-5,11,16,19-22,24-28H,6H2/t11-,16+,19+,20-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)c(O)c(O)c12,C20H18O11,pos_1_1proton1methanol,434.084911396,MWTIXVAPAPFDDA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica birleyi,6073258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica birleyi'],8,2,9.0
3073,4183,1223,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.37456632,ISDB,RBJDJJGMGHKQMI-ZEZNTJNFSA-N,"InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22-,27+,28+,29-,30-/m0/s1",C=C1CCC[C@]2(C)C[C@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@@H]12,C30H38O4,,462.277009696,RBJDJJGMGHKQMI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],4,3,6.998265266418457
3074,4183,1223,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.37456632,ISDB,RBJDJJGMGHKQMI-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3",C=C1CCCC2(C)CC3(C45CC6(C)CCCC(=C)C6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3CC12,C30H38O4,,462.277009696,RBJDJJGMGHKQMI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],4,3,6.998265266418457
3075,4183,1223,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.37456632,ISDB,RBJDJJGMGHKQMI-IBROYFQSSA-N,"InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22+,27+,28-,29-,30+",C=C1CCC[C@@]2(C)C[C@@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12,C30H38O4,,462.277009696,RBJDJJGMGHKQMI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Trattinnickia rhoifolia,5748258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Trattinnickia'],['Trattinnickia rhoifolia'],4,3,6.998265266418457
3076,4179,1399,Alkaloids,Tryptophan alkaloids,Hydroxy fatty acids,0.0,MS1_match,BWIXNBSQYZAAFZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O3/c1-7(17)12-13-9(6-11(16-12)14(18)19)8-4-2-3-5-10(8)15-13/h2-7,15,17H,1H3,(H,18,19)",CC(O)c1nc(C(=O)O)cc2c1[nH]c1ccccc12,C14H12N2O3,pos_1_1proton,256.084792244,BWIXNBSQYZAAFZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,2,8.0
3077,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
3078,4178,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-BFHYXJOUSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2CC(C)=CCCC(CO)=C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
3079,4178,-1,,,,0.0,MS1_match,CNCUVASZDQFGKH-DMLGPZFASA-N,"InChI=1S/C15H20O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h7,9-13,17H,1,3-6H2,2H3/t9-,10-,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CC[C@@H](O)[C@]3(C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,CNCUVASZDQFGKH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
3080,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea maroccana,3894184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maroccana'],7,0,7.0
3081,4178,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sonchifolia,7613429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sonchifolia'],7,0,7.0
3082,4178,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea castellana,609895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea castellana'],7,0,7.0
3083,4178,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea seridis,539755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea polyacantha'],7,0,7.0
3084,4178,-1,,,,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
3085,4178,-1,,,,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
3086,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],7,0,7.0
3087,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea bombycina,662748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bombycina'],7,0,7.0
3088,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paniculata,735135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paniculata'],7,0,7.0
3089,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
3090,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
3091,4178,-1,,,,0.0,MS1_match,SNNGLDULRXQHKQ-JSXSYOHWSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,9-13,17H,1-2,6H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)C=O,C15H20O4,pos_1_1proton1ammonium,264.13615912,SNNGLDULRXQHKQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3092,4178,-1,,,,0.0,MS1_match,QKZAGVAREZGRQW-MAEJKLRXSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-11(6-16)15(18)19-14(9)13-8(2)12(17)5-10(7)13/h8,10,12-14,16-17H,1,3-6H2,2H3/t8-,10+,12-,13+,14+/m0/s1",C=C1CCC2=C(CO)C(=O)O[C@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,QKZAGVAREZGRQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
3093,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea iberica,726027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea iberica'],7,0,7.0
3094,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],7,0,7.0
3095,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinella moschus,519450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinella'],['Jurinella moschus'],7,0,7.0
3096,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
3097,4178,-1,,,,0.0,MS1_match,NGPDZEACIWDCKX-WUDKWMPASA-N,"InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)C=C[C@@](C)(O)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,NGPDZEACIWDCKX,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
3098,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea suffruticosa,715079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea suffruticosa'],7,0,7.0
3099,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
3100,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea achaia,7612795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea achaia'],7,0,7.0
3101,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea crocodylium,391024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea crocodylium'],7,0,7.0
3102,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,0,7.0
3103,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cuneifolia,992160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cuneifolia'],7,0,7.0
3104,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3105,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
3106,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea castellana,609895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea castellana'],7,0,7.0
3107,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
3108,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
3109,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aegialophila,914194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aegialophila'],7,0,7.0
3110,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,0,7.0
3111,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
3112,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
3113,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
3114,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3115,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea orphanidea,3894141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea orphanidea'],7,0,7.0
3116,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus intybaceus,404582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus intybaceus'],7,0,7.0
3117,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea derventana,7612965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea derventana'],7,0,7.0
3118,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum ambiguum,3894479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum ambiguum'],7,0,7.0
3119,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
3120,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum cyrenaicum,7612237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum cyrenaicum'],7,0,7.0
3121,4178,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea melitensis,539759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea melitensis'],7,0,7.0
3122,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum corymbosum,5144245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum corymbosum'],7,0,7.0
3123,4178,-1,,,,0.0,MS1_match,DAIIXEWQEXVGNA-GWZQBECVSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5-/t10-,11+,12-,13+,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C/C(C)=C\CC[C@@]1(C)O[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,DAIIXEWQEXVGNA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
3124,4178,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ammonium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
3125,4178,-1,,,,0.0,MS1_match,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
3126,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
3127,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
3128,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-WWRXHXRLSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(=C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
3129,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
3130,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,0,7.0
3131,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
3132,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
3133,4178,-1,,,,0.0,MS1_match,RVKWXVMCRTUJGJ-PVZBEVCSSA-N,"InChI=1S/C15H20O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7,9-13,17H,1,3-6H2,2H3/t9-,10+,11-,12-,13+,15-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@H](C=O)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,RVKWXVMCRTUJGJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3134,4178,-1,,,,0.0,MS1_match,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea baldschuanica,1036514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea baldschuanica'],7,0,7.0
3135,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
3136,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
3137,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3138,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3139,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
3140,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,0,7.0
3141,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
3142,4178,-1,,,,0.0,MS1_match,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea crinita,5794842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea crinita'],7,0,7.0
3143,4178,-1,,,,0.0,MS1_match,QKQGXZIVYKJKBQ-RASOWBLLSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,12-14,16-17H,2-3,5,7-8H2,1H3/b9-4+,11-6-/t12-,13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)[C@@H](O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,QKQGXZIVYKJKBQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
3144,4178,-1,,,,0.0,MS1_match,QKQGXZIVYKJKBQ-RASOWBLLSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,12-14,16-17H,2-3,5,7-8H2,1H3/b9-4+,11-6-/t12-,13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)[C@@H](O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,QKQGXZIVYKJKBQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
3145,4178,-1,,,,0.0,MS1_match,FHYQPZNZWJKLKK-FUCUMGKVSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
3146,4178,-1,,,,0.0,MS1_match,PAZYHLOHSAAEKM-VYJZXLQCSA-N,"InChI=1S/C15H20O4/c1-10-13-6-5-11(8-16)3-2-4-12(9-17)7-14(13)19-15(10)18/h3,7,13-14,16-17H,1-2,4-6,8-9H2/b11-3+,12-7+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,PAZYHLOHSAAEKM,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea albicaulis,741651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea albicaulis'],7,0,7.0
3147,4178,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
3148,4178,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-LUQFHCQZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8+,9+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3149,4178,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3150,4178,-1,,,,0.0,MS1_match,SSTIYLZXJJFLBY-JNSDFJCGSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,13-14,16H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2C(=O)C1,C15H20O4,pos_1_1proton1ammonium,264.13615912,SSTIYLZXJJFLBY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
3151,4178,-1,,,,0.0,MS1_match,KTQLCISPJDVTOS-WBHWTODUSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h7,10-13,16H,2,4-6H2,1,3H3/b8-7+/t10-,11-,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)/C=C(\C)CCC[C@@]1(C)O[C@@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,KTQLCISPJDVTOS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
3152,4178,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
3153,4178,-1,,,,0.0,MS1_match,FHYQPZNZWJKLKK-HGVZAONGSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10-,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
3154,4178,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-CDUHWDNDSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8-,9-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
3155,4178,-1,,,,0.0,MS1_match,PAZYHLOHSAAEKM-VYJZXLQCSA-N,"InChI=1S/C15H20O4/c1-10-13-6-5-11(8-16)3-2-4-12(9-17)7-14(13)19-15(10)18/h3,7,13-14,16-17H,1-2,4-6,8-9H2/b11-3+,12-7+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,PAZYHLOHSAAEKM,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],7,0,7.0
3156,4178,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
3157,4177,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.686151,ISDB,JAZBEHYOTPTENJ-JLNKQSITSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C20H30O2,,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],5,3,9.244604110717773
3158,4175,-1,,,,0.0,MS1_match,MRLVVVMKNONDOH-YGDYIFIGSA-N,"InChI=1S/C28H42O8/c1-13-9-21(36-25(34)16(13)12-29)14(2)17-5-6-18-15-10-23(32)28(35)24(33)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32-33,35H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)[C@@H](O)[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O8,pos_1_minus1proton2sodium,506.28796830399983,MRLVVVMKNONDOH,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0
3159,4175,-1,,,,0.0,MS1_match,AYSGOPOJGPEGSU-DFDLQTNDSA-N,"InChI=1S/C28H42O8/c1-15-12-22(36-23(32)16(15)14-29)26(4,33)19-8-11-27(34)18-13-21(31)28(35)9-5-6-20(30)25(28,3)17(18)7-10-24(19,27)2/h17-19,21-22,29,31,33-35H,5-14H2,1-4H3/t17-,18+,19-,21+,22+,24+,25-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O8,pos_1_minus1proton2sodium,506.287968304,AYSGOPOJGPEGSU,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0
3160,4175,-1,,,,0.0,MS1_match,ACWMDFSCLZNAMQ-IWGLUGRCSA-N,"InChI=1S/C28H42O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,15-18,20-21,30,32-35H,8-14H2,1-5H3/t15-,16+,17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H42O8,pos_1_minus1proton2sodium,506.287968304,ACWMDFSCLZNAMQ,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,0,6.0
3161,4175,-1,,,,0.0,MS1_match,DFSBDOXCQOJIAK-KVQZJPFPSA-N,"InChI=1S/C28H42O8/c1-14-10-21(36-25(34)17(14)12-29)15(2)18-4-5-19-16-11-24(33)28(35)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h15-16,18-21,23-24,29-30,32-33,35H,4-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)[C@@H](O)CCC(=O)[C@]5(CO)[C@H]4CC[C@]23C)C1,C28H42O8,pos_1_minus1proton2sodium,506.287968304,DFSBDOXCQOJIAK,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0
3162,4174,68,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.9055044,ISDB,,,,,,,HEALIQQDEGDSLS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.6220176219940186
3163,4172,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.387922,ISDB,IQGBPJFXIUKNHN-UHFFFAOYSA-N,"InChI=1S/C18H24O/c1-3-4-5-6-7-8-9-10-11-12-17-13-16(2)14-18(19)15-17/h14,17H,3-8,13,15H2,1-2H3",CCCCCCCC#CC#CC1CC(=O)C=C(C)C1,C18H24O,,256.182715388,IQGBPJFXIUKNHN,,,,Montipora,134705.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Scleractinia'],['Acroporidae'],['Unknown'],['Montipora'],['Unknown'],2,0,3.5516879558563232
3164,4171,975,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.42805055,ISDB,HOPILPCNVMYYFM-UTBUEMAESA-N,"InChI=1S/C20H31NO/c1-14-7-11-21-16(14)12-17-18(3)8-5-6-15(2)20(18,13-22)10-9-19(17,21)4/h6-7,16-17,22H,5,8-13H2,1-4H3/t16-,17+,18+,19+,20-/m0/s1",CC1=CCN2[C@H]1C[C@H]1[C@@]2(C)CC[C@]2(CO)C(C)=CCC[C@]12C,C20H31NO,,301.240564612,HOPILPCNVMYYFM,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Thelepogon elegans,83454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Thelepogon'],['Thelepogon elegans'],0,3,3.2122021913528442
3165,4168,-1,,,,0.6137678,ISDB,ZXQNKMAHWBGRNM-AZUAARDMSA-N,"InChI=1S/C20H28/c1-6-15-14(2)8-10-17-16(15)9-11-18-19(3,4)12-7-13-20(17,18)5/h7-8,10,12,18H,6,9,11,13H2,1-5H3/t18-,20+/m0/s1",CCc1c(C)ccc2c1CC[C@H]1C(C)(C)C=CC[C@]21C,C20H28,,268.219100896,ZXQNKMAHWBGRNM,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Vellozia piresiana,3968458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Pandanales'],['Velloziaceae'],['Unknown'],['Vellozia'],['Vellozia piresiana'],4,0,6.455071210861206
3166,4167,1104,Shikimates and Phenylpropanoids,Flavonoids,Isoflavones,0.0,MS1_match,JTDVCRMQMDJLOR-OAOYMFHYSA-N,"InChI=1S/C21H22O8/c1-25-13-5-10(4-12(22)8-13)19-17-14(9-28-19)18(29-21(17)24)11-6-15(23)20(27-3)16(7-11)26-2/h4-8,14,17-19,22-23H,9H2,1-3H3/t14-,17-,18+,19+/m1/s1",COc1cc(O)cc([C@@H]2OC[C@@H]3[C@H]2C(=O)O[C@H]3c2cc(O)c(OC)c(OC)c2)c1,C21H22O8,pos_1_1proton1ammonium,402.13146766399984,JTDVCRMQMDJLOR,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,1,6.5
3167,4166,-1,,,,0.0,MS1_match,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,pos_2MH,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Cenchrus americanus,1079449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Cenchrus'],['Cenchrus americanus'],6,0,6.0
3168,4166,-1,,,,0.0,MS1_match,UTQNRZLKGDVLNM-UHFFFAOYSA-N,"InChI=1S/C13H18N2O2/c1-15(2)8-9-7-14-13-11(9)5-10(16-3)6-12(13)17-4/h5-7,14H,8H2,1-4H3",COc1cc(OC)c2[nH]cc(CN(C)C)c2c1,C13H18N2O2,pos_2MH,234.136827816,UTQNRZLKGDVLNM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Phalaris aquatica,647123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phalaris'],['Phalaris aquatica'],6,0,6.0
3169,4166,-1,,,,0.0,MS1_match,BUAMVCSJOZBROF-QHCPKHFHSA-N,"InChI=1S/C23H28N4O3/c1-24-12-11-23(30)16-6-4-5-7-18(16)27(22(23)29)21-19(28)9-8-17-20(21)15(14-25-17)10-13-26(2)3/h4-9,14,24-25,28,30H,10-13H2,1-3H3/t23-/m0/s1",CNCC[C@@]1(O)C(=O)N(c2c(O)ccc3[nH]cc(CCN(C)C)c23)c2ccccc21,C23H28N4O3,pos_1_1proton1isopropanol,408.216140756,BUAMVCSJOZBROF,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arundo donax,659304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundineae'],['Arundo'],['Arundo donax'],6,0,6.0
3170,4165,-1,,,,0.35010505,ISDB,BVNCCXWAZAZQNM-IDANVTIHSA-N,"InChI=1S/C13H22O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,9-10,14-15H,7-8H2,1-4H3/b6-5+/t9-,10-,12+,13-/m0/s1",C[C@H](O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C13H22O3,,226.156894564,BVNCCXWAZAZQNM,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Isodon excisus,624040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon excisus'],5,0,6.400420188903809
3171,4164,544,Carbohydrates,Polyols,Amino cyclitols,0.0,MS1_match,DXLUNIWVHZZSPK-WDCZJNDASA-N,"InChI=1S/C6H11NO2/c1-3-4(2)9-6(8)5(3)7/h3-5H,7H2,1-2H3/t3-,4-,5+/m1/s1",C[C@H]1[C@H](N)C(=O)O[C@@H]1C,C6H11NO2,pos_1_1proton1methanol,129.078978592,DXLUNIWVHZZSPK,,,,Quararibea funebris,5762173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Quararibea'],['Quararibea funebris'],6,0,6.0
3172,4162,-1,,,,0.23138443,ISDB,NAKFBERXHIFMJM-OYUKEOCBSA-N,"InChI=1S/C30H48O5/c1-18(20(3)17-35-21(4)31)7-8-19(2)24-9-10-25-23-15-27(33)30(34)16-22(32)11-14-29(30,6)26(23)12-13-28(24,25)5/h19-20,22-26,32,34H,1,7-17H2,2-6H3/t19-,20-,22+,23+,24-,25+,26+,28-,29-,30+/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H](C)COC(C)=O,C30H48O5,,488.3501746359999,NAKFBERXHIFMJM,Terpenoids,Steroids,Cholestane steroids,Plexaurella grisea,83529.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaurella'],['Plexaurella grisea'],2,0,2.9255377054214478
3173,4161,-1,,,,0.0,MS1_match,FOTVKQTYZXWNAO-KXKLIONSSA-N,"InChI=1S/C27H36O13/c1-34-17-5-12(6-18(35-2)22(17)31)25-14(9-28)15(10-38-27-24(33)21(30)16(29)11-39-27)26(40-25)13-7-19(36-3)23(32)20(8-13)37-4/h5-8,14-16,21,24-33H,9-11H2,1-4H3/t14-,15-,16+,21-,24+,25+,26+,27+/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CO)cc(OC)c1O,C27H36O13,pos_1_1sodium,568.2155912119999,FOTVKQTYZXWNAO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3174,4161,-1,,,,0.0,MS1_match,FOTVKQTYZXWNAO-KXKLIONSSA-N,"InChI=1S/C27H36O13/c1-34-17-5-12(6-18(35-2)22(17)31)25-14(9-28)15(10-38-27-24(33)21(30)16(29)11-39-27)26(40-25)13-7-19(36-3)23(32)20(8-13)37-4/h5-8,14-16,21,24-33H,9-11H2,1-4H3/t14-,15-,16+,21-,24+,25+,26+,27+/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CO)cc(OC)c1O,C27H36O13,pos_1_1sodium,568.2155912119999,FOTVKQTYZXWNAO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Oryza aristata,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3175,4157,44,Amino acids and Peptides,Small peptides,Aminoacids,0.75116193,ISDB,GSDBGCKBBJVPNC-SCSAIBSYSA-N,"InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m1/s1",N=C(N)NCCOP(=O)(O)OC[C@@H](N)C(=O)O,C6H15N4O6P,,270.07292083000004,GSDBGCKBBJVPNC,Amino acids and Peptides,Small peptides,Aminoacids,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,3,4.504647731781006
3176,4157,44,Amino acids and Peptides,Small peptides,Aminoacids,0.75116193,ISDB,GSDBGCKBBJVPNC-UHFFFAOYSA-N,"InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)",NC(N)=NCCOP(=O)(O)OCC(N)C(=O)O,C6H15N4O6P,,270.07292083000004,GSDBGCKBBJVPNC,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],0,3,4.504647731781006
3177,4156,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.36582124,ISDB,RJLAJQDKXWWUNG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10,13-14H,6-7H2,1-3H3",Cc1ccc(C)c2c1CCC(C)C2O,C13H18O,,190.135765196,RJLAJQDKXWWUNG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,3,3.963284969329834
3178,4155,244,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,0.5913467,ISDB,LXUGKKVCSTYZFK-HYNUQJCBSA-N,"InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h6-7,9-10,12-13,15-16,22,24-30,32-36H,2-5,8,11,14,17-21H2,1H3,(H,37,38)/b7-6-,10-9-,13-12-,16-15-/t22-,24-,25-,26+,27-,28-,29-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O,C29H49O12P,,620.2961636379999,LXUGKKVCSTYZFK,Fatty acids,Glycerophospholipids,Glycerophosphoinositols,Bos taurus,490099.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Artiodactyla'],['Bovidae'],['Unknown'],['Bos'],['Bos taurus'],0,3,3.865386724472046
3179,4154,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49376494,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.475059747695923
3180,4154,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49376494,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.475059747695923
3181,4154,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49376494,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.475059747695923
3182,4152,1104,Shikimates and Phenylpropanoids,Flavonoids,Isoflavones,0.0,MS1_match,KYQZWONCHDNPDP-QNDFHXLGSA-N,"InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C21H20O9,pos_1_1proton1ethylamine,416.1107322199998,KYQZWONCHDNPDP,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
3183,4152,1104,Shikimates and Phenylpropanoids,Flavonoids,Isoflavones,0.0,MS1_match,KYQZWONCHDNPDP-QNDFHXLGSA-N,"InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C21H20O9,pos_1_1proton1ethylamine,416.1107322199998,KYQZWONCHDNPDP,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
3184,4150,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.39279145,ISDB,LSHJORFPRQVMOA-TUMKRPRASA-N,"InChI=1S/C25H26O14/c26-6-16-20(33)24(39-25-22(35)19(32)13(31)7-36-25)23(38-16)18-12(30)5-15-17(21(18)34)11(29)4-14(37-15)8-1-2-9(27)10(28)3-8/h1-5,13,16,19-20,22-28,30-35H,6-7H2/t13-,16-,19+,20-,22-,23-,24+,25+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C25H26O14,,550.132255512,LSHJORFPRQVMOA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sasa cernua,429794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Sasa'],['Sasa cernua'],5,3,8.071165800094604
3185,4148,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JBFOLLJCGUCDQP-YRIDSSQKSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C21H18O11,pos_1_1proton,446.08491139599977,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,2,9.0
3186,4148,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JBFOLLJCGUCDQP-YRIDSSQKSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C21H18O11,pos_1_1proton,446.08491139599977,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,2,9.0
3187,4145,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
3188,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
3189,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
3190,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
3191,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
3192,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
3193,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
3194,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
3195,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
3196,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
3197,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
3198,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
3199,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
3200,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-UHFFFAOYSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
3201,4145,-1,,,,0.0,MS1_match,OUPKJRAFJRTDMN-HJPYRHJCSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h6,9,11-13,17H,2,4-5H2,1,3H3/t9-,11+,12-,13+,15+/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)C(=O)C=C(C)[C@@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,OUPKJRAFJRTDMN,Terpenoids,Sesquiterpenoids,Iphionane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
3202,4145,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,0,7.0
3203,4145,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,0,7.0
3204,4145,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-GYRMMRJHSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9?,11+,12?,13?,14-/m1/s1",C=C1C[C@H](O)C2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@H]2C,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
3205,4145,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
3206,4145,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
3207,4145,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ammonium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,0,7.0
3208,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
3209,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
3210,4145,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ammonium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
3211,4145,-1,,,,0.0,MS1_match,ZTRSVJILTKDCGR-IHWVXMPCSA-N,"InChI=1S/C15H18O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,10-13,17H,1-3,6H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O,C15H18O4,pos_1_1proton1ammonium,262.120509056,ZTRSVJILTKDCGR,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3212,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YUDPTGPSBJVHCN-YJUJGKJLSA-N,"InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16?/m1/s1",Cc1cc(=O)oc2cc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12,C16H18O8,pos_1_1proton,338.100167536,YUDPTGPSBJVHCN,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,1,7.5
3213,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SBZWTSHAFILOTE-KKUMJFAQSA-N,"InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H/t13-,14-,15-/m0/s1",Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2O,C15H14O7,pos_1_1proton1methanol,306.073952788,SBZWTSHAFILOTE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,1,7.5
3214,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XMOCLSLCDHWDHP-DOMZBBRYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Euphorbia bupleuroides,3912649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia bupleuroides'],7,1,7.5
3215,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SBZWTSHAFILOTE-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2O,C15H14O7,pos_1_1proton1methanol,306.073952788,SBZWTSHAFILOTE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,1,7.5
3216,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],6,3,7.5
3217,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],6,3,7.5
3218,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-OTCYKTEZSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],6,3,7.5
3219,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BMRSEYFENKXDIS-QHAYPTCMSA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O8,pos_1_1proton,338.1001675359999,BMRSEYFENKXDIS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],6,3,7.5
3220,4144,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BNOTVQGTWXPTHW-VUDGCMKMSA-N,"InChI=1S/C16H18O8/c1-21-12-8-10(4-6-11(12)17)5-7-14(18)24-13(16(20)23-3)9-15(19)22-2/h4-8,13,17H,9H2,1-3H3/b7-5+/t13-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OC,C16H18O8,pos_1_1proton,338.100167536,BNOTVQGTWXPTHW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],6,3,7.5
3221,4143,-1,,,,0.2047944,ISDB,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.819177627563477
3222,4141,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7121408,ISDB,GYHXUCQTTQOORU-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-10-18(22-2)17(20)9-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3",COc1ccc(CN2CCc3cc(OC)c(O)cc3C2)cc1,C18H21NO3,,299.152143532,GYHXUCQTTQOORU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,3,10.348563194274902
3223,4141,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7121408,ISDB,GYHXUCQTTQOORU-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-10-18(22-2)17(20)9-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3",COc1ccc(CN2CCc3cc(OC)c(O)cc3C2)cc1,C18H21NO3,,299.152143532,GYHXUCQTTQOORU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis aurea,3944902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis aurea'],6,3,10.348563194274902
3224,4141,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7121408,ISDB,GYHXUCQTTQOORU-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-10-18(22-2)17(20)9-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3",COc1ccc(CN2CCc3cc(OC)c(O)cc3C2)cc1,C18H21NO3,,299.152143532,GYHXUCQTTQOORU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,3,10.348563194274902
3225,4139,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6087536,ISDB,AKIHYQWCLCDMMI-VMPITWQZSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+",N=C(N)NCCCCNC(=O)/C=C/c1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.935014486312866
3226,4139,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6087536,ISDB,AKIHYQWCLCDMMI-UHFFFAOYSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)",N=C(N)NCCCCNC(=O)C=Cc1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,3,7.935014486312866
3227,4137,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,CVFKYVHETQVSKZ-UHFFFAOYSA-N,"InChI=1S/C19H20O4/c1-13(2)5-4-6-14(3)9-10-22-18-12-17-15(11-16(18)20)7-8-19(21)23-17/h4,6-9,11-12,20H,1,5,10H2,2-3H3",C=C(C)CC=CC(C)=CCOc1cc2oc(=O)ccc2cc1O,C19H20O4,pos_1_1proton1acetonitrile,312.13615912,CVFKYVHETQVSKZ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Haplopappus multifolius,980839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus multifolius'],6,3,7.5
3228,4137,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,JONVYPGHELSEDP-RIYZIHGNSA-N,"InChI=1S/C19H20O4/c1-13(2)10-16(20)11-14(3)8-9-22-17-6-4-15-5-7-19(21)23-18(15)12-17/h4-8,10,12H,9,11H2,1-3H3/b14-8+",CC(C)=CC(=O)C/C(C)=C/COc1ccc2ccc(=O)oc2c1,C19H20O4,pos_1_1proton1acetonitrile,312.13615912,JONVYPGHELSEDP,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baccharis darwinii,7599908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis darwinii'],6,3,7.5
3229,4137,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,XBCBDSPDEPBQSQ-ALDOIWKISA-N,"InChI=1S/C19H20O4/c1-9-5-4-6-12-14(9)17-15(18(20)21-12)16-13-10(2)7-8-11(13)19(3,22-16)23-17/h4-6,10-11,13,16H,7-8H2,1-3H3/t10-,11-,13+,16+,19+/m0/s1",Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C)O[C@@H]3[C@@H]2[C@@H](C)CC[C@@H]21,C19H20O4,pos_1_1proton1acetonitrile,312.13615912,XBCBDSPDEPBQSQ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lycoseris triplinervia,5784634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Onoserideae'],['Lycoseris'],['Lycoseris triplinervia'],6,3,7.5
3230,4136,918,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,pos_1_1proton2acetonitrile,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
3231,4135,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHCH3CN,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Centaurea amanicola,3894338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea amanicola'],7,0,7.0
3232,4135,-1,,,,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_2MHCH3CN,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
3233,4134,-1,,,,0.0,MS1_match,SJFTVAAHLRFBST-DBFWEQBMSA-N,"InChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1",O=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C27H26O17,pos_1_1proton,622.116999372,SJFTVAAHLRFBST,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,0,8.0
3234,4133,218,Amino acids and Peptides,Small peptides,Aminoacids,0.267772,ISDB,CAOVWYZQMPNAFJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)",Nc1ccccc1C(=O)CC(=O)C(=O)O,C10H9NO4,,207.053157768,CAOVWYZQMPNAFJ,Amino acids and Peptides,Small peptides,Aminoacids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,4.571087956428528
3235,4133,218,Amino acids and Peptides,Small peptides,Aminoacids,0.267772,ISDB,CAOVWYZQMPNAFJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)",Nc1ccccc1C(=O)CC(=O)C(=O)O,C10H9NO4,,207.053157768,CAOVWYZQMPNAFJ,Amino acids and Peptides,Small peptides,Aminoacids,Daphnia pulex,59086.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Diplostraca'],['Daphniidae'],['Unknown'],['Daphnia'],['Daphnia pulex'],2,3,4.571087956428528
3236,4132,-1,,,,0.0,MS1_match,VNYRYHUSEXFRBX-UHFFFAOYSA-N,"InChI=1S/C27H46O3/c1-16(2)14-24(29)25(30)17(3)21-8-9-22-20-7-6-18-15-19(28)10-12-26(18,4)23(20)11-13-27(21,22)5/h16-18,20-25,29-30H,6-15H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C,C27H46O3,pos_1_1proton1ammonium,418.344695332,VNYRYHUSEXFRBX,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3237,4129,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5027398,ISDB,TXNTUVMTISSRLP-AYWYSENESA-N,"InChI=1S/C21H21NO6/c1-21-13-3-4-14-18(28-9-25-14)12(13)7-22(2)19(21)11-6-16-15(26-8-27-16)5-10(11)17(23)20(21)24/h3-6,17,19-20,23-24H,7-9H2,1-2H3/t17-,19-,20+,21-/m1/s1",CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)[C@H](O)c3cc4c(cc3[C@@H]12)OCO4,C21H21NO6,,383.136887392,TXNTUVMTISSRLP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,3,9.510959148406982
3238,4129,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5027398,ISDB,TXNTUVMTISSRLP-VCYXJBJXSA-N,"InChI=1S/C21H21NO6/c1-21-13-3-4-14-18(28-9-25-14)12(13)7-22(2)19(21)11-6-16-15(26-8-27-16)5-10(11)17(23)20(21)24/h3-6,17,19-20,23-24H,7-9H2,1-2H3/t17?,19-,20+,21-/m1/s1",CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)C(O)c3cc4c(cc3[C@@H]12)OCO4,C21H21NO6,,383.1368873919999,TXNTUVMTISSRLP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,9.510959148406982
3239,4129,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5027398,ISDB,TXNTUVMTISSRLP-VCYXJBJXSA-N,"InChI=1S/C21H21NO6/c1-21-13-3-4-14-18(28-9-25-14)12(13)7-22(2)19(21)11-6-16-15(26-8-27-16)5-10(11)17(23)20(21)24/h3-6,17,19-20,23-24H,7-9H2,1-2H3/t17?,19-,20+,21-/m1/s1",CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)C(O)c3cc4c(cc3[C@@H]12)OCO4,C21H21NO6,,383.1368873919999,TXNTUVMTISSRLP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,3,9.510959148406982
3240,4127,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_1_1proton1methanol,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
3241,4127,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_1_1proton1methanol,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
3242,4123,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7343362,ISDB,,,,,,,XBGIMYLOTRDXPK,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.937344789505005
3243,4118,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.508078,ISDB,IWAWDKXYERYUIS-YKLGVVQGSA-N,"InChI=1S/C20H18O9/c21-9-3-1-8(2-4-9)13-5-10(22)15-14(29-13)6-11(23)16(18(15)26)20-19(27)17(25)12(24)7-28-20/h1-6,12,17,19-21,23-27H,7H2/t12-,17-,19?,20-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3OC[C@H](O)[C@H](O)C3O)c(O)c12,C20H18O9,,402.095082156,IWAWDKXYERYUIS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,11.532311916351318
3244,4117,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.70269144,ISDB,UIPKEVNEOFKIRG-IAQYHMDHSA-N,"InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3/t11-,15-/m1/s1",CC1(C)C2=CC=CC(C)(C)[C@@]23CC[C@@H]1C3,C15H22,,202.172150704,UIPKEVNEOFKIRG,Terpenoids,Sesquiterpenoids,Longifolane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,2,10.810765743255615
3245,4116,-1,,,,0.0,MS1_match,ULBCDFQMEHBPLS-SMTCLPNWSA-N,"InChI=1S/C29H42O9S/c1-16-11-25(37-27(32)21(16)15-36-4)20(14-30)23-8-7-22-19-6-5-17-12-18(38-39(33,34)35)13-26(31)29(17,3)24(19)9-10-28(22,23)2/h5,18-20,22-25,30H,6-15H2,1-4H3,(H,33,34,35)/t18-,19-,20-,22-,23+,24-,25+,28-,29-/m0/s1",COCC1=C(C)C[C@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](OS(=O)(=O)O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC1=O,C29H42O9S,pos_1_1potassium,566.254953924,ULBCDFQMEHBPLS,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
3246,4114,836,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,FCBACUGWODQDAW-ITGYZVCLSA-N,"InChI=1S/C26H46O8/c1-15(10-13-27)6-7-18-25(4)11-9-19(24(2,3)17(25)8-12-26(18,5)32)34-23-22(31)21(30)20(29)16(14-28)33-23/h10,16-23,27-32H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,18-,19+,20-,21+,22-,23+,25+,26+/m1/s1",C/C(=C\CO)CC[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]2CC[C@]1(C)O,C26H46O8,pos_1_1proton1ethylamine,486.31926843199983,FCBACUGWODQDAW,Terpenoids,Diterpenoids,Labdane diterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,3,9.5
3247,4113,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.2053347,ISDB,CTGMCYNSUYQXFH-FVOPLDGLSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-13(17)23-12(15(19)20)8-14(18)22-2/h3-7,12,16H,8H2,1-2H3,(H,19,20)/b6-4+/t12-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)O,C15H16O8,,324.084517472,CTGMCYNSUYQXFH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,6.321338772773743
3248,4110,-1,,,,0.0,MS1_match,VOOFFTMORIBISQ-UMRVURNHSA-N,"InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5+,14-8-/t12?,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(C)CO)[C@@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,VOOFFTMORIBISQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
3249,4110,-1,,,,0.0,MS1_match,WSRGRZRMKSTDQJ-CAOMHITASA-N,"InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,13,15-17,20-21H,2,4,6-7,9-10H2,1,3H3/b11-5+,14-8-/t13-,15+,16-,17+/m1/s1",C=C(CO)C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,WSRGRZRMKSTDQJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea glomerata,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,0,7.0
3250,4110,-1,,,,0.0,MS1_match,PMEAIKAPEVRFCE-YJGFUPBESA-N,"InChI=1S/C19H26O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h9,11-17,20-21H,1,3,5-7H2,2,4H3/t9-,11-,12-,13-,14-,15-,16+,17+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](OC(=O)[C@@H](C)CO)CC(=C)[C@@H]2C[C@@H]1O,C19H26O6,pos_1_1proton1ammonium,350.172938552,PMEAIKAPEVRFCE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
3251,4110,-1,,,,0.0,MS1_match,QIIYMTARGYHPHO-UAQNWJKASA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-16(10)13-11(6-22-9(3)18)14(19)15(20)12(7)13/h10-16,19-20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15+,16-/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,QIIYMTARGYHPHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
3252,4110,-1,,,,0.0,MS1_match,QIIYMTARGYHPHO-UAQNWJKASA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-16(10)13-11(6-22-9(3)18)14(19)15(20)12(7)13/h10-16,19-20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15+,16-/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,QIIYMTARGYHPHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
3253,4110,-1,,,,0.0,MS1_match,JZABCHJIEAEUQW-YJEUUXNWSA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-15(10)13-11(6-18)16(22-9(3)19)14(20)12(7)13/h10-16,18,20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15-,16+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](CO)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,JZABCHJIEAEUQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
3254,4110,-1,,,,0.0,MS1_match,PMYTWBUCBFNKSN-JGNCHMRASA-N,"InChI=1S/C19H26O6/c1-11-6-5-7-15(10-23-13(3)20)9-17-18(12(2)19(22)25-17)16(8-11)24-14(4)21/h6,9,12,16-18H,5,7-8,10H2,1-4H3/b11-6-,15-9+/t12-,16-,17+,18+/m0/s1",CC(=O)OC/C1=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(C)=O)C/C(C)=C\CC1,C19H26O6,pos_1_1proton1ammonium,350.172938552,PMYTWBUCBFNKSN,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea maroccana,3894184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maroccana'],7,0,7.0
3255,4110,-1,,,,0.0,MS1_match,PMYTWBUCBFNKSN-JGNCHMRASA-N,"InChI=1S/C19H26O6/c1-11-6-5-7-15(10-23-13(3)20)9-17-18(12(2)19(22)25-17)16(8-11)24-14(4)21/h6,9,12,16-18H,5,7-8,10H2,1-4H3/b11-6-,15-9+/t12-,16-,17+,18+/m0/s1",CC(=O)OC/C1=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(C)=O)C/C(C)=C\CC1,C19H26O6,pos_1_1proton1ammonium,350.172938552,PMYTWBUCBFNKSN,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
3256,4110,-1,,,,0.0,MS1_match,JZABCHJIEAEUQW-YJEUUXNWSA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-15(10)13-11(6-18)16(22-9(3)19)14(20)12(7)13/h10-16,18,20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15-,16+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](CO)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,JZABCHJIEAEUQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
3257,4110,-1,,,,0.0,MS1_match,IRSYULSNVRLREI-OBMCMEANSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(19)6-11(8)14)23-16(20)17(12,21)7-22-10(3)18/h9,11-12,14-15,21H,1,4-7H2,2-3H3/t9-,11+,12-,14+,15+,17+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)COC(C)=O)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,IRSYULSNVRLREI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
3258,4110,-1,,,,0.0,MS1_match,XIVYFPUTCCJWCJ-ODIPTECFSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(19)6-11(8)14)23-16(20)17(12,21)7-22-10(3)18/h11-15,19,21H,1-2,4-7H2,3H3/t11-,12+,13-,14-,15-,17-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(COC(C)=O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C17H22O6,pos_1_1proton1ethylamine,322.141638424,XIVYFPUTCCJWCJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
3259,4110,-1,,,,0.0,MS1_match,DWCYZAGYVGTNEU-PEFKZTBOSA-N,"InChI=1S/C19H26O6/c1-4-5-6-7-8-9-10-11-12-22-18-16(21)15(20)17-14(24-18)13-23-19(2,3)25-17/h4-5,14-18,20-21H,10-13H2,1-3H3/b5-4-/t14-,15+,16-,17-,18-/m1/s1",C/C=C\C#CC#CCCCO[C@@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@@H](O)[C@H]1O,C19H26O6,pos_1_1proton1ammonium,350.172938552,DWCYZAGYVGTNEU,,,,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
3260,4110,-1,,,,0.0,MS1_match,IFMWZCXMVNSDEW-UHFFFAOYSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(23-16(20)17(12,21)7-18)14-9(2)13(6-11(8)14)22-10(3)19/h11-15,18,21H,1-2,4-7H2,3H3",C=C1CCC2C(OC(=O)C2(O)CO)C2C(=C)C(OC(C)=O)CC12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,IFMWZCXMVNSDEW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
3261,4110,-1,,,,0.0,MS1_match,IAKJNLGPQQXWAV-YINPGZOOSA-N,"InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8,11,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b13-5-,14-8-/t15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,IAKJNLGPQQXWAV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea eriobasis,3894774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea eriobasis'],7,0,7.0
3262,4110,-1,,,,0.0,MS1_match,VOOFFTMORIBISQ-UMRVURNHSA-N,"InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5+,14-8-/t12?,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(C)CO)[C@@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,VOOFFTMORIBISQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum tauricum,795542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum tauricum'],7,0,7.0
3263,4110,-1,,,,0.0,MS1_match,OQJPDNUNEOBMBT-NRNRTASOSA-N,"InChI=1S/C19H26O6/c1-10(2)16(21)24-9-19(23)8-6-13(20)18(4)7-5-12-11(3)17(22)25-14(12)15(18)19/h12-15,20,23H,1,3,5-9H2,2,4H3/t12-,13+,14-,15-,18-,19-/m0/s1",C=C(C)C(=O)OC[C@@]1(O)CC[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,OQJPDNUNEOBMBT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hyssopifolia,726030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hyssopifolia'],7,0,7.0
3264,4110,-1,,,,0.0,MS1_match,KUOMJFRFJMUJKK-CFJHEMKJSA-N,"InChI=1S/C19H26O6/c1-11-6-5-7-15(10-23-13(3)20)8-18-16(12(2)19(22)25-18)9-17(11)24-14(4)21/h6,8,12,16-18H,5,7,9-10H2,1-4H3/b11-6+,15-8-/t12-,16-,17-,18+/m0/s1",CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@H](OC(C)=O)/C(C)=C/CC1,C19H26O6,pos_1_1proton1ammonium,350.172938552,KUOMJFRFJMUJKK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
3265,4110,-1,,,,0.0,MS1_match,VOOFFTMORIBISQ-PQVANJKFSA-N,"InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5+,14-8-/t12-,15+,16-,17-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)[C@H](C)CO)[C@@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,VOOFFTMORIBISQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Arctium minus,756713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium minus'],7,0,7.0
3266,4110,-1,,,,0.0,MS1_match,VOOFFTMORIBISQ-LIHWBDTKSA-N,"InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5+,14-8-/t12-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,VOOFFTMORIBISQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea melitensis,539759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea melitensis'],7,0,7.0
3267,4110,-1,,,,0.0,MS1_match,BYTQBLSQDIOEOZ-QENAKCEXSA-N,"InChI=1S/C17H22O6/c1-8-4-5-11-9(2)16(21)22-15(11)14-12(8)6-13(20)17(14,7-18)23-10(3)19/h9,11-12,14-15,18H,1,4-7H2,2-3H3/t9-,11-,12-,14-,15-,17+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@@]2(CO)OC(C)=O,C17H22O6,pos_1_1proton1ethylamine,322.14163842399995,BYTQBLSQDIOEOZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
3268,4110,-1,,,,0.0,MS1_match,VOOFFTMORIBISQ-UMRVURNHSA-N,"InChI=1S/C19H26O6/c1-11-5-4-6-14(10-21)8-16-17(13(3)19(23)25-16)15(7-11)24-18(22)12(2)9-20/h5,8,12,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b11-5+,14-8-/t12?,15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(C)CO)[C@@H]12,C19H26O6,pos_1_1proton1ammonium,350.172938552,VOOFFTMORIBISQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum ambiguum,3894479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum ambiguum'],7,0,7.0
3269,4110,-1,,,,0.0,MS1_match,UMBZQSUBTTXDBJ-CBJCNJIPSA-N,"InChI=1S/C17H22O6/c1-9-15-12(19)7-17(3)14(23-17)5-4-11(8-21-10(2)18)6-13(15)22-16(9)20/h6,12-15,19H,1,4-5,7-8H2,2-3H3/b11-6+/t12-,13-,14+,15+,17-/m0/s1",C=C1C(=O)O[C@H]2/C=C(/COC(C)=O)CC[C@H]3O[C@@]3(C)C[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,UMBZQSUBTTXDBJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3270,4110,-1,,,,0.0,MS1_match,YMJVBIHHYVIDTP-OBMCMEANSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(20)6-11(8)14)22-16(21)17(12,7-18)23-10(3)19/h9,11-12,14-15,18H,1,4-7H2,2-3H3/t9-,11+,12-,14+,15+,17+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@@]2(CO)OC(C)=O)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,YMJVBIHHYVIDTP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
3271,4110,-1,,,,0.0,MS1_match,BXUMVLFGZURENL-IVHPGPSSSA-N,"InChI=1S/C17H22O6/c1-9-6-14(20)16-10(2)17(21)23-15(16)7-12(4-5-13(9)19)8-22-11(3)18/h7,13-16,19-20H,1-2,4-6,8H2,3H3/b12-7+/t13-,14+,15+,16-/m1/s1",C=C1C(=O)O[C@H]2/C=C(/COC(C)=O)CC[C@@H](O)C(=C)C[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1ethylamine,322.141638424,BXUMVLFGZURENL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3272,4109,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.27113825,ISDB,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,10.584553003311157
3273,4107,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9768997,ISDB,LZOSYCMHQXPBFU-UHFFFAOYSA-N,"InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3",CCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C17H33NO4,,315.240958536,LZOSYCMHQXPBFU,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,7.4075987339019775
3274,4107,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9768997,ISDB,LZOSYCMHQXPBFU-OAHLLOKOSA-N,"InChI=1S/C17H33NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h15H,5-14H2,1-4H3/t15-/m1/s1",CCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C17H33NO4,,315.240958536,LZOSYCMHQXPBFU,Fatty acids,Fatty esters,Fatty acyl carnitines,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,3,7.4075987339019775
3275,4106,-1,,,,0.31211546,ISDB,IYRXGHQWARDYRT-UHFFFAOYSA-N,"InChI=1S/C24H20O7/c1-10-7-15(27)21-13(8-12-5-4-6-14(26)20(12)24(21)30)18(10)22-16(28)9-17(31-3)19(11(2)25)23(22)29/h4-7,9,26-29H,8H2,1-3H3",COc1cc(O)c(-c2c(C)cc(O)c3c2Cc2cccc(O)c2C3=O)c(O)c1C(C)=O,C24H20O7,,420.12090298,IYRXGHQWARDYRT,Polyketides,Phloroglucinols,Acyl phloroglucinols,Kniphofia foliosa,733409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Kniphofia'],['Kniphofia foliosa'],1,0,2.2484618425369263
3276,4106,-1,,,,0.31211546,ISDB,IYRXGHQWARDYRT-UHFFFAOYSA-N,"InChI=1S/C24H20O7/c1-10-7-15(27)21-13(8-12-5-4-6-14(26)20(12)24(21)30)18(10)22-16(28)9-17(31-3)19(11(2)25)23(22)29/h4-7,9,26-29H,8H2,1-3H3",COc1cc(O)c(-c2c(C)cc(O)c3c2Cc2cccc(O)c2C3=O)c(O)c1C(C)=O,C24H20O7,,420.12090298,IYRXGHQWARDYRT,Polyketides,Phloroglucinols,Acyl phloroglucinols,Bulbine abyssinica,3996628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Bulbine'],['Bulbine abyssinica'],1,0,2.2484618425369263
3277,4104,290,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.23312065,ISDB,NYGZYUAVZPIKBZ-ZBEGNZNMSA-N,"InChI=1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1",COc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21,C16H14O5,,286.084123548,NYGZYUAVZPIKBZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Megaselia flavescens,4346252.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Phoridae'],['Megaseliini'],['Megaselia'],['Megaselia flavescens'],4,3,6.432482600212097
3278,4103,1066,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.8239769,ISDB,YSANDRPLTYFXMF-LYGKUDJVSA-N,"InChI=1S/C20H30O2/c1-14-6-10-20-13-18(20,2)8-4-5-16(20)19(14,3)9-7-15-11-17(21)22-12-15/h11,14,16H,4-10,12-13H2,1-3H3/t14-,16-,18+,19+,20+/m1/s1",C[C@@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1,C20H30O2,,302.2245802,YSANDRPLTYFXMF,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Cystodytes,296453.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polycitoridae'],['Unknown'],['Cystodytes'],['Unknown'],2,3,6.795907497406006
3279,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,0,6.0
3280,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
3281,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos claviculata,187661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos claviculata'],6,0,6.0
3282,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos saetabensis,262598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos saetabensis'],6,0,6.0
3283,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Platycapnos saxicola,1065330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos saxicola'],6,0,6.0
3284,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria macrosepala,5503547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria macrosepala'],6,0,6.0
3285,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,0,6.0
3286,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis thyrsiflora,6130614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis thyrsiflora'],6,0,6.0
3287,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,0,6.0
3288,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,0,6.0
3289,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum leptocarpum,304278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum leptocarpum'],6,0,6.0
3290,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pteridophyllum racemosum,778816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pteridophyllum'],['Pteridophyllum racemosum'],6,0,6.0
3291,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya microcarpa,274600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya microcarpa'],6,0,6.0
3292,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
3293,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis orthopoda,6130503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis orthopoda'],6,0,6.0
3294,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,0,6.0
3295,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Romneya coulteri,565714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Romneya'],['Romneya coulteri'],6,0,6.0
3296,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis balansae,6130292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis balansae'],6,0,6.0
3297,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
3298,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,0,6.0
3299,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hylomecon hylomeconoides,900627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hylomecon'],['Hylomecon hylomeconoides'],6,0,6.0
3300,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia integrifolia,1030281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia integrifolia'],6,0,6.0
3301,4098,-1,,,,0.0,MS1_match,GGOQNPMQWNXDQK-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-22-15-6-4-12-9-21-19-13(18(12)20(15)23-2)5-3-11-7-16-17(8-14(11)19)25-10-24-16/h3-9H,10H2,1-2H3",COc1ccc2cnc3c4cc5c(cc4ccc3c2c1OC)OCO5,C20H15NO4,pos_1_1proton,333.10010796,GGOQNPMQWNXDQK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
3302,4098,-1,,,,0.0,MS1_match,JGUNQXPMULKFNY-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3",COc1ccc2c(cnc3c4cc5c(cc4ccc23)OCO5)c1OC,C20H15NO4,pos_1_1proton,333.10010796,JGUNQXPMULKFNY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
3303,4098,-1,,,,0.0,MS1_match,JGUNQXPMULKFNY-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3",COc1ccc2c(cnc3c4cc5c(cc4ccc23)OCO5)c1OC,C20H15NO4,pos_1_1proton,333.10010796,JGUNQXPMULKFNY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hylomecon japonica,1030293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hylomecon'],['Hylomecon japonica'],6,0,6.0
3304,4098,-1,,,,0.0,MS1_match,JGUNQXPMULKFNY-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3",COc1ccc2c(cnc3c4cc5c(cc4ccc23)OCO5)c1OC,C20H15NO4,pos_1_1proton,333.10010796,JGUNQXPMULKFNY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hylomecon japonicum,1086765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hylomecon'],['Hylomecon vernalis'],6,0,6.0
3305,4098,-1,,,,0.0,MS1_match,JGUNQXPMULKFNY-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-22-16-6-5-12-13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21-9-15(12)20(16)23-2/h3-9H,10H2,1-2H3",COc1ccc2c(cnc3c4cc5c(cc4ccc23)OCO5)c1OC,C20H15NO4,pos_1_1proton,333.10010796,JGUNQXPMULKFNY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone albiflora,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,0,6.0
3306,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum procumbens,620741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum procumbens'],6,0,6.0
3307,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,0,6.0
3308,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Rupicapnos africana,538836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Rupicapnos'],['Rupicapnos africana'],6,0,6.0
3309,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,0,6.0
3310,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,0,6.0
3311,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia arborea,5727911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia arborea'],6,0,6.0
3312,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,0,6.0
3313,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,0,6.0
3314,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,6.0
3315,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Arctomecon humilis,164466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Arctomecon'],['Arctomecon humilis'],6,0,6.0
3316,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dicentra peregrina,928561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicentra'],['Dicentra peregrina'],6,0,6.0
3317,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lamprocapnos spectabilis,928569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Lamprocapnos'],['Lamprocapnos spectabilis'],6,0,6.0
3318,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,0,6.0
3319,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
3320,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,0,6.0
3321,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,0,6.0
3322,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia frutescens,1030285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia frutescens'],6,0,6.0
3323,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,6.0
3324,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,0,6.0
3325,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria,76886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Unknown'],6,0,6.0
3326,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
3327,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
3328,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,0,6.0
3329,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,0,6.0
3330,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,0,6.0
3331,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,0,6.0
3332,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,0,6.0
3333,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,0,6.0
3334,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum imberbe,188913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum imberbe'],6,0,6.0
3335,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
3336,4098,-1,,,,0.0,MS1_match,CIUHLXZTZWTVFL-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3",CN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4,C20H15NO4,pos_1_1proton,333.10010796,CIUHLXZTZWTVFL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria sepium,5503543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria sepium'],6,0,6.0
3337,4098,-1,,,,0.0,MS1_match,RSCIYYHIBVZXDI-UHFFFAOYSA-N,"InChI=1S/C20H15NO4/c1-21-9-15-12(5-6-16(23-2)20(15)22)13-4-3-11-7-17-18(25-10-24-17)8-14(11)19(13)21/h3-9H,10H2,1-2H3",COc1ccc2c3ccc4cc5c(cc4c3n(C)cc-2c1=O)OCO5,C20H15NO4,pos_1_1proton,333.10010796,RSCIYYHIBVZXDI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,0,6.0
3338,4098,-1,,,,0.0,MS1_match,MCICDJXPRJHXNQ-UHFFFAOYSA-N,"InChI=1S/C40H30N2O8/c1-41(2)11-9-19-13-25-39(49-17-45-25)33-27(19)35(41)29(21-5-7-23-37(31(21)33)47-15-43-23)30-22-6-8-24-38(48-16-44-24)32(22)34-28-20(10-12-42(3,4)36(28)30)14-26-40(34)50-18-46-26/h5-14H,15-18H2,1-4H3/q+2",C[N+]1(C)C=Cc2cc3c(c4c2c1c(-c1c2c5c(cc6c(c5c5c7c(ccc15)OCO7)OCO6)C=C[N+]2(C)C)c1ccc2c(c14)OCO2)OCO3,C40H30N2O8+2,pos_2_2proton,666.19911876018,MCICDJXPRJHXNQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,0,6.0
3339,4095,-1,,,,0.8558,ISDB,,,,,,,KKCGBTJTPQETOY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.4231998920440674
3340,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
3341,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
3342,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
3343,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
3344,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,3,9.5
3345,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
3346,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
3347,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,3,9.5
3348,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,3,9.5
3349,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
3350,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
3351,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
3352,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
3353,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
3354,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
3355,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,3,9.5
3356,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
3357,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
3358,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
3359,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,3,9.5
3360,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
3361,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
3362,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
3363,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
3364,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,3,9.5
3365,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
3366,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
3367,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
3368,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,3,9.5
3369,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
3370,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
3371,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
3372,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
3373,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
3374,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
3375,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,3,9.5
3376,4092,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BVBJSLWZAPVJKX-RTFRMLQUSA-N,"InChI=1S/C22H26O13/c23-6-12-15(27)16(28)17(29)21(33-12)34-20-13-9(3-4-31-20)14(26)18-22(13,35-18)7-32-19(30)8-1-2-10(24)11(25)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14+,15-,16+,17-,18+,20+,21+,22-/m1/s1",O=C(OC[C@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1proton1ammonium,498.137340892,BVBJSLWZAPVJKX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
3377,4091,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LVTHSNDCPQIIGB-PWDVNBPDSA-N,"InChI=1S/C28H32O6/c1-12-6-22-18(8-16-15(12)4-5-20(16)29)28(26(32)34-22)11-27-10-17-14(3)25(31)33-21(17)7-13(2)24(27)19(28)9-23(27)30/h4-5,12-13,15-19,21-22,24H,3,6-11H2,1-2H3/t12-,13-,15-,16-,17-,18+,19-,21-,22-,24+,27+,28-/m1/s1",C=C1C(=O)O[C@@H]2C[C@@H](C)[C@H]3[C@H]4CC(=O)[C@]3(C[C@H]12)C[C@]41C(=O)O[C@@H]2C[C@@H](C)[C@H]3C=CC(=O)[C@@H]3C[C@@H]21,C28H32O6,pos_1_minus1proton1iron,464.219888744,LVTHSNDCPQIIGB,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Helenium mexicanum,3900017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium mexicanum'],6,0,6.0
3378,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VYAKIUWQLHRZGK-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,VYAKIUWQLHRZGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
3379,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ASOIXDIITRKTOX-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,ASOIXDIITRKTOX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stenophylla,5800650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stenophylla'],8,0,8.0
3380,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ASOIXDIITRKTOX-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,ASOIXDIITRKTOX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],8,0,8.0
3381,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ASOIXDIITRKTOX-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,ASOIXDIITRKTOX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
3382,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ASOIXDIITRKTOX-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)12-5-10(19)13-9(18)4-11(20)14(21)15(13)22-12/h1-5,16-18,20-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,ASOIXDIITRKTOX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,0,8.0
3383,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1proton1methanol,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica polita,827671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica polita'],8,0,8.0
3384,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VYAKIUWQLHRZGK-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,VYAKIUWQLHRZGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,0,8.0
3385,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VYAKIUWQLHRZGK-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,VYAKIUWQLHRZGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stenophylla,5800650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stenophylla'],8,0,8.0
3386,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VYAKIUWQLHRZGK-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,VYAKIUWQLHRZGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],8,0,8.0
3387,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VYAKIUWQLHRZGK-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,VYAKIUWQLHRZGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
3388,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VYAKIUWQLHRZGK-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,VYAKIUWQLHRZGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
3389,4089,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VYAKIUWQLHRZGK-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,C15H10O7,pos_1_1proton1isopropanol,302.04265266,VYAKIUWQLHRZGK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,0,8.0
3390,4087,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1proton,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Elymus repens,218255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Elymus'],['Elymus repens'],7,3,8.5
3391,4086,404,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3392,4086,404,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3393,4086,404,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3394,4086,404,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1sodium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3395,4084,-1,,,,0.67001885,ISDB,UVLDESQWQRMYKD-MOAZMYQBSA-N,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,,428.29265976,UVLDESQWQRMYKD,Terpenoids,Steroids,Spirostane steroids,Solanum amotapense,726194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amotapense'],8,0,10.680075407028198
3396,4075,-1,,,,0.0,MS1_match,JEOODUYTNFLEHG-QSDICDTNSA-N,"InChI=1S/C25H36O13/c1-3-4-13(2)37-23-21(31)20(30)19(29)17(38-23)10-34-24-22(32)25(33,12-36-24)11-35-18(28)8-6-14-5-7-15(26)16(27)9-14/h5-9,13,17,19-24,26-27,29-33H,3-4,10-12H2,1-2H3/b8-6+/t13-,17+,19-,20-,21+,22-,23+,24+,25+/m0/s1",CCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C25H36O13,pos_1_minus1proton2sodium,544.215591212,JEOODUYTNFLEHG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],6,0,6.0
3397,4075,-1,,,,0.0,MS1_match,RVIZWHDRVBGGFY-VXKYNQCPSA-N,"InChI=1S/C27H34O13/c1-13-21-20(38-24(13)32)11-18(12-28)9-8-10-19(25(33)35-7)22(37-16(4)30)23(21)39-26(34)27(6,40-17(5)31)14(2)36-15(3)29/h10-11,14,20-23,28H,1,8-9,12H2,2-7H3/b18-11-,19-10+/t14-,20+,21-,22-,23-,27-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@](C)(OC(C)=O)[C@H](C)OC(C)=O)[C@@H]12,C27H34O13,pos_1_1sodium,566.199941148,RVIZWHDRVBGGFY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tetragonotheca helianthoides,3899621.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Tetragonotheca'],['Tetragonotheca helianthoides'],6,0,6.0
3398,4075,-1,,,,0.0,MS1_match,RVIZWHDRVBGGFY-VXKYNQCPSA-N,"InChI=1S/C27H34O13/c1-13-21-20(38-24(13)32)11-18(12-28)9-8-10-19(25(33)35-7)22(37-16(4)30)23(21)39-26(34)27(6,40-17(5)31)14(2)36-15(3)29/h10-11,14,20-23,28H,1,8-9,12H2,2-7H3/b18-11-,19-10+/t14-,20+,21-,22-,23-,27-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@](C)(OC(C)=O)[C@H](C)OC(C)=O)[C@@H]12,C27H34O13,pos_1_1sodium,566.199941148,RVIZWHDRVBGGFY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gonotheca helianthoides,7606775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Tetragonotheca'],['Gonotheca helianthoides'],6,0,6.0
3399,4074,-1,,,,0.71138424,ISDB,AIELHXXAVIMENK-HYXAFXHYSA-N,"InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h3-6,9H,2,7-8,10H2,1H3/b5-3-",CC/C=C\CC1=CC=CCC1,C11H16,,148.125200512,AIELHXXAVIMENK,,,,Ligusticum grayi,3889895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Unknown'],['Ligusticum'],['Ligusticum grayi'],4,0,6.845536947250366
3400,4074,-1,,,,0.71138424,ISDB,AIELHXXAVIMENK-UHFFFAOYSA-N,"InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h3-6,9H,2,7-8,10H2,1H3",CCC=CCC1=CC=CCC1,C11H16,,148.125200512,AIELHXXAVIMENK,,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],4,0,6.845536947250366
3401,4073,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
3402,4073,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
3403,4073,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
3404,4073,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
3405,4070,326,,,,0.35230085,ISDB,,,,,,,HFCUWUYQYUCSKE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4092034101486206
3406,4068,207,Alkaloids,,,0.0,MS1_match,PMBZSEOAOIYRMW-FYPHCDFOSA-N,"InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2,C15H19NO9,pos_1_1sodium,357.105981188,PMBZSEOAOIYRMW,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,1,6.5
3407,4065,-1,,,,0.0,MS1_match,JVERCROVANKHBR-RWJLKENHSA-N,"InChI=1S/C38H66O13/c1-18(2)25(49-35-32(30(44)26(16-39)50-35)51-34-31(45)29(43)27(47-6)17-48-34)8-7-19(3)21-14-23(41)33-37(21,5)12-10-28-36(4)11-9-20(40)13-22(36)24(42)15-38(28,33)46/h18-35,39-46H,7-17H2,1-6H3/t19-,20+,21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32+,33-,34+,35+,36+,37-,38+/m1/s1",CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)C[C@@H]5[C@@H](O)C[C@]34O)C(C)C)O[C@H](CO)[C@H]2O)[C@H](O)[C@H]1O,C38H66O13,pos_1_1proton2acetonitrile,730.450342172,JVERCROVANKHBR,Terpenoids,Steroids,Cholestane steroids,Printzia polifolia,429567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Printzia'],['Printzia polifolia'],6,0,6.0
3408,4064,522,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.4648452,ISDB,MRDLTMOGBXPNAR-ISHSZONUSA-N,"InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-22-24(26)23-31-32(27,28)30-21-19-25(2,3)4/h15-16,24,26H,5-14,17-23H2,1-4H3/b16-15-/t24-/m0/s1",CCCCCCCCCCC/C=C\CCCOC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C24H50NO6P,,479.33757495,MRDLTMOGBXPNAR,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,3.359380841255188
3409,4061,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZJXFDQVVYBKPMA-YJFYXXRUSA-N,"InChI=1S/C22H32O4/c1-7-14(2)9-10-17-15(3)18(26-16(4)23)13-19-21(17,5)11-8-12-22(19,6)20(24)25/h7,9,17-19H,1,3,8,10-13H2,2,4-6H3,(H,24,25)/b14-9+/t17-,18+,19+,21+,22-/m0/s1",C=C/C(C)=C/C[C@H]1C(=C)[C@H](OC(C)=O)C[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O,C22H32O4,pos_1_minus1proton1iron,360.230059504,ZJXFDQVVYBKPMA,Terpenoids,Diterpenoids,Labdane diterpenoids,Chromolaena collina,698957.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena collina'],6,3,7.5
3410,4061,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JUJWZGSOPFTUIW-YHINDDMVSA-N,"InChI=1S/C22H32O4/c1-15-18(7-6-17-8-11-25-13-17)22(4)10-5-9-21(3,14-23)20(22)12-19(15)26-16(2)24/h8,11,13,18-20,23H,1,5-7,9-10,12,14H2,2-4H3/t18-,19+,20-,21-,22+/m1/s1",C=C1[C@@H](OC(C)=O)C[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@@H]1CCc1ccoc1,C22H32O4,pos_1_minus1proton1iron,360.230059504,JUJWZGSOPFTUIW,Terpenoids,Diterpenoids,Labdane diterpenoids,Austroeupatorium chaparense,7602841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Austroeupatorium'],['Austroeupatorium chaparense'],6,3,7.5
3411,4061,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,PAXVPBKYCURYQJ-WKDRNLAYSA-N,"InChI=1S/C22H32O4/c1-15-6-9-19-21(3,14-26-16(2)23)10-5-11-22(19,4)18(15)8-7-17-12-20(24)25-13-17/h12,18-19H,1,5-11,13-14H2,2-4H3/t18-,19-,21+,22+/m1/s1",C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1,C22H32O4,pos_1_minus1proton1iron,360.230059504,PAXVPBKYCURYQJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Leiocarpa semicalva,5784671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Leiocarpa'],['Leiocarpa semicalva'],6,3,7.5
3412,4061,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,PAXVPBKYCURYQJ-WKDRNLAYSA-N,"InChI=1S/C22H32O4/c1-15-6-9-19-21(3,14-26-16(2)23)10-5-11-22(19,4)18(15)8-7-17-12-20(24)25-13-17/h12,18-19H,1,5-11,13-14H2,2-4H3/t18-,19-,21+,22+/m1/s1",C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1,C22H32O4,pos_1_minus1proton1iron,360.230059504,PAXVPBKYCURYQJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Chrysocephalum ambiguum,7600856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Chrysocephalum'],['Chrysocephalum ambiguum'],6,3,7.5
3413,4061,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,CDYBXHABQVLJHE-AWKDEEHNSA-N,"InChI=1S/C22H32O4/c1-7-14(2)9-10-17-16(20(24)25)13-18(26-15(3)23)19-21(4,5)11-8-12-22(17,19)6/h7,9,13,17-19H,1,8,10-12H2,2-6H3,(H,24,25)/b14-9+/t17-,18+,19-,22+/m1/s1",C=C/C(C)=C/C[C@@H]1C(C(=O)O)=C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C,C22H32O4,pos_1_minus1proton1iron,360.230059504,CDYBXHABQVLJHE,Terpenoids,Diterpenoids,Labdane diterpenoids,Rutidosis murchisonii,7607694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rutidosis'],['Rutidosis murchisonii'],6,3,7.5
3414,4061,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,KIFHEGOOWBXPAC-WQIFRTTPSA-N,"InChI=1S/C22H32O4/c1-7-20(5)11-12-22(26-20)16(14-23)13-17(25-15(2)24)18-19(3,4)9-8-10-21(18,22)6/h7,13-14,17-18H,1,8-12H2,2-6H3/t17-,18+,20-,21+,22-/m1/s1",C=C[C@]1(C)CC[C@@]2(O1)C(C=O)=C[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@@]12C,C22H32O4,pos_1_minus1proton1iron,360.230059504,KIFHEGOOWBXPAC,Terpenoids,Diterpenoids,Labdane diterpenoids,Haplopappus parvifolius,7599230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus parvifolius'],6,3,7.5
3415,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-HYXREVLBSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.4071570320003,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
3416,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-UHFFFAOYSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)",CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(COS(=O)(=O)O)C(O)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa,705524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Unknown'],6,0,6.0
3417,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-MBKUMDAMSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21?,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39-,40+,41-/m1/s1",CC(C)=CC1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
3418,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-FTIYEOEQSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
3419,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-HYXREVLBSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.4071570320003,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
3420,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-UHFFFAOYSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)",CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(COS(=O)(=O)O)C(O)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa,705524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Unknown'],6,0,6.0
3421,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-MBKUMDAMSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21?,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39-,40+,41-/m1/s1",CC(C)=CC1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
3422,4060,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-FTIYEOEQSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
3423,4060,-1,,,,0.0,MS1_match,JTWVMELOPRBCGZ-UHFFFAOYSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-16-51-41-18-40(19-52-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-35-31(46)32(29(44)24(55-35)17-53-58(48,49)50)57-34-30(45)28(43)23(15-42)54-34/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)",CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JTWVMELOPRBCGZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
3424,4057,-1,,,,0.0,MS1_match,UFOFLILZAYNLQQ-NHPWUDTJSA-N,"InChI=1S/C26H33N3O4/c30-20-8-10-26-11-9-24(31)27-12-1-2-13-28-14-3-15-29(18-28)25(32)7-5-19-4-6-22(21(26)16-19)33-23(26)17-20/h4-7,9,11,16,20,23,30H,1-3,8,10,12-15,17-18H2,(H,27,31)/b7-5+,11-9+/t20-,23+,26-/m0/s1",O=C1/C=C/[C@]23CC[C@H](O)C[C@H]2Oc2ccc(cc23)/C=C/C(=O)N2CCCN(CCCCN1)C2,C26H33N3O4,pos_1_1sodium1acetonitrile,451.247106536,UFOFLILZAYNLQQ,Alkaloids,Ornithine alkaloids,Polyamines,Lunaria annua,464805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Biscutelleae'],['Lunaria'],['Lunaria annua'],6,0,6.0
3425,4056,-1,,,,0.0,MS1_match,SXEOLYYAJFORDM-JCVAACEISA-N,"InChI=1S/C21H30O10/c1-10(2)5-15(24)31-20-16-11(6-22)3-4-13(16)12(8-28-20)9-29-21-19(27)18(26)17(25)14(7-23)30-21/h3,8,10,13-14,16-17,19-23,25,27H,4-7,9H2,1-2H3/t13-,14-,16-,17-,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)[C@H]2CC=C(CO)[C@@H]12,C21H30O10,pos_1_1proton1methanol,442.18389716,SXEOLYYAJFORDM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
3426,4056,-1,,,,0.0,MS1_match,SXEOLYYAJFORDM-JCVAACEISA-N,"InChI=1S/C21H30O10/c1-10(2)5-15(24)31-20-16-11(6-22)3-4-13(16)12(8-28-20)9-29-21-19(27)18(26)17(25)14(7-23)30-21/h3,8,10,13-14,16-17,19-23,25,27H,4-7,9H2,1-2H3/t13-,14-,16-,17-,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)[C@H]2CC=C(CO)[C@@H]12,C21H30O10,pos_1_1proton1methanol,442.18389716,SXEOLYYAJFORDM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
3427,4054,-1,,,,0.0,MS1_match,NUJWBDOJBSCJEG-UHFFFAOYSA-N,"InChI=1S/C43H72O16/c1-20(2)42(55,19-56-35-33(52)31(50)29(48)23(16-44)57-35)12-9-21(3)22-10-11-39(5)25-7-8-26-40(6,37(54)59-36-34(53)32(51)30(49)24(17-45)58-36)27(46)15-28(47)43(26)18-41(25,43)14-13-38(22,39)4/h20-36,44-53,55H,7-19H2,1-6H3",CC(CCC(O)(COC1OC(CO)C(O)C(O)C1O)C(C)C)C1CCC2(C)C3CCC4C(C)(C(=O)OC5OC(CO)C(O)C(O)C5O)C(O)CC(O)C45CC35CCC12C,C43H72O16,pos_1_1sodium,844.482036224,NUJWBDOJBSCJEG,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3428,4047,-1,,,,0.0,MS1_match,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,pos_1_1proton1methanol,233.090806228,BCRXKWOQVFKZAG,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
3429,4047,-1,,,,0.0,MS1_match,VRYSUGWFYFXWLB-UHFFFAOYSA-N,"InChI=1S/C9H17NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3",C[S+]([O-])CCCCCCCC#N,C9H17NOS,pos_1_1proton1dmso,187.103085164,VRYSUGWFYFXWLB,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
3430,4043,-1,,,,0.0,MS1_match,PBRJTYBOSTVXGS-UHFFFAOYSA-N,"InChI=1S/C26H32O12/c27-12-18-19(29)20(30)21(24(37-18)34-11-10-15-4-2-1-3-5-15)38-25-22(31)26(33,14-36-25)13-35-23(32)16-6-8-17(28)9-7-16/h1-9,18-22,24-25,27-31,33H,10-14H2",O=C(OCC1(O)COC(OC2C(OCCc3ccccc3)OC(CO)C(O)C2O)C1O)c1ccc(O)cc1,C26H32O12,pos_2_2sodium,536.189376464,PBRJTYBOSTVXGS,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
3431,4043,-1,,,,0.0,MS1_match,PBRJTYBOSTVXGS-JUKYQPCLSA-N,"InChI=1S/C26H32O12/c27-12-18-19(29)20(30)21(24(37-18)34-11-10-15-4-2-1-3-5-15)38-25-22(31)26(33,14-36-25)13-35-23(32)16-6-8-17(28)9-7-16/h1-9,18-22,24-25,27-31,33H,10-14H2/t18-,19-,20+,21-,22+,24-,25+,26-/m1/s1",O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](OCCc3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,C26H32O12,pos_2_2sodium,536.189376464,PBRJTYBOSTVXGS,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
3432,4043,-1,,,,0.0,MS1_match,PBRJTYBOSTVXGS-JUKYQPCLSA-N,"InChI=1S/C26H32O12/c27-12-18-19(29)20(30)21(24(37-18)34-11-10-15-4-2-1-3-5-15)38-25-22(31)26(33,14-36-25)13-35-23(32)16-6-8-17(28)9-7-16/h1-9,18-22,24-25,27-31,33H,10-14H2/t18-,19-,20+,21-,22+,24-,25+,26-/m1/s1",O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](OCCc3ccccc3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O)c1ccc(O)cc1,C26H32O12,pos_2_2sodium,536.189376464,PBRJTYBOSTVXGS,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
3433,4043,-1,,,,0.0,MS1_match,PITGIIBORWZGAM-GJDDDNHOSA-N,"InChI=1S/C26H32O12/c1-10-3-5-12-14(8-34-24(31)17(10)12)22(29)37-20-16(7-27)36-26(33)19(28)21(20)38-23(30)15-9-35-25(32)18-11(2)4-6-13(15)18/h12-16,19-21,26-28,33H,3-9H2,1-2H3/t12-,13-,14+,15+,16+,19+,20+,21+,26-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3OC(=O)[C@@H]3COC(=O)C4=C(C)CC[C@H]43)[C@@H]2CC1,C26H32O12,pos_2_2sodium,536.189376464,PITGIIBORWZGAM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
3434,4043,-1,,,,0.0,MS1_match,HGDABMUUBCWUFX-CMLXGIKFSA-N,"InChI=1S/C26H32O12/c1-10-3-5-12-14(7-34-24(31)17(10)12)22(29)36-9-16-19(27)21(20(28)26(33)37-16)38-23(30)15-8-35-25(32)18-11(2)4-6-13(15)18/h12-16,19-21,26-28,33H,3-9H2,1-2H3/t12-,13-,14+,15+,16+,19+,20+,21-,26-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)OC[C@H]3O[C@H](O)[C@H](O)[C@@H](OC(=O)[C@@H]4COC(=O)C5=C(C)CC[C@H]54)[C@@H]3O)[C@@H]2CC1,C26H32O12,pos_2_2sodium,536.189376464,HGDABMUUBCWUFX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
3435,4043,-1,,,,0.0,MS1_match,RVGMZRHIIQPXLL-FDCVZABFSA-N,"InChI=1S/C26H32O12/c1-10-3-5-12-14(8-34-24(31)17(10)12)22(29)37-20-16(7-27)36-26(33)21(19(20)28)38-23(30)15-9-35-25(32)18-11(2)4-6-13(15)18/h12-16,19-21,26-28,33H,3-9H2,1-2H3/t12-,13-,14+,15+,16+,19-,20+,21+,26-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3[C@@H](O)[C@H](OC(=O)[C@@H]4COC(=O)C5=C(C)CC[C@H]54)[C@@H](CO)O[C@@H]3O)[C@@H]2CC1,C26H32O12,pos_2_2sodium,536.189376464,RVGMZRHIIQPXLL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
3436,4041,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.89503163,ISDB,IAGAQBYVWBZRNC-UHFFFAOYSA-N,"InChI=1S/C15H20O3/c1-3-4-5-6-13(16)9-7-12-8-10-14(17)15(11-12)18-2/h3,8,10-11,17H,1,4-7,9H2,2H3",C=CCCCC(=O)CCc1ccc(O)c(OC)c1,C15H20O3,,248.1412445,IAGAQBYVWBZRNC,Alkaloids,,,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],1,1,5.080126523971558
3437,4038,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1ethylamine,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,2,7.0
3438,4036,396,Alkaloids,Ornithine alkaloids,Polyamines,0.49187115,ISDB,XMZKGYUPPWJMNS-RMKNXTFCSA-N,"InChI=1S/C16H25N3O2/c17-10-3-12-18-11-1-2-13-19-16(21)9-6-14-4-7-15(20)8-5-14/h4-9,18,20H,1-3,10-13,17H2,(H,19,21)/b9-6+",NCCCNCCCCNC(=O)/C=C/c1ccc(O)cc1,C16H25N3O2,,291.19467704,XMZKGYUPPWJMNS,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],1,3,4.4674845933914185
3439,4034,28,Shikimates and Phenylpropanoids,Cyclic polyketides,Furans,0.35651556,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.926062226295471
3440,4033,426,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.26064572,ISDB,HNGXYIVQLQGYNF-QHMILBNKSA-N,"InChI=1S/C18H28O4/c1-10-8-14(21-12(3)19)9-13-6-7-15-16(18(10,13)4)11(2)17(20-5)22-15/h9-11,14-17H,6-8H2,1-5H3/t10-,11-,14-,15-,16-,17+,18+/m0/s1",CO[C@@H]1O[C@H]2CCC3=C[C@@H](OC(C)=O)C[C@H](C)[C@@]3(C)[C@H]2[C@@H]1C,C18H28O4,,308.198759376,HNGXYIVQLQGYNF,Terpenoids,Sesquiterpenoids,Nardosinane sesquiterpenoids,Lemnalia flava,4713406.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia flava'],2,2,4.042582869529724
3441,4032,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.39320233,ISDB,RPYOBVFUJCZQDA-MUFCHLESSA-N,"InChI=1S/C19H21NO5/c1-24-17-11-13(3-9-16(17)22)4-10-19(23)20-12-18(25-2)14-5-7-15(21)8-6-14/h3-11,18,21-22H,12H2,1-2H3,(H,20,23)/b10-4+/t18-/m0/s1",COc1cc(/C=C/C(=O)NC[C@H](OC)c2ccc(O)cc2)ccc1O,C19H21NO5,,343.141972772,RPYOBVFUJCZQDA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],4,2,6.572809338569641
3442,4032,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.39320233,ISDB,RPYOBVFUJCZQDA-YDMXYTAQSA-N,"InChI=1S/C19H21NO5/c1-24-17-11-13(3-9-16(17)22)4-10-19(23)20-12-18(25-2)14-5-7-15(21)8-6-14/h3-11,18,21-22H,12H2,1-2H3,(H,20,23)/b10-4+/t18-/m1/s1",COc1cc(/C=C/C(=O)NC[C@@H](OC)c2ccc(O)cc2)ccc1O,C19H21NO5,,343.141972772,RPYOBVFUJCZQDA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Isodon excisus,624040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Isodon'],['Isodon excisus'],4,2,6.572809338569641
3443,4030,-1,,,,0.6870421,ISDB,SIHKZQDGUPOURP-OWCLPIDISA-N,"InChI=1S/C16H22O3/c1-15-6-3-7-16(2,19)14(15)8-10-11(9-15)13(18)5-4-12(10)17/h4-5,14,17-19H,3,6-9H2,1-2H3/t14-,15+,16-/m1/s1",C[C@@]12CCC[C@@](C)(O)[C@@H]1Cc1c(O)ccc(O)c1C2,C16H22O3,,262.156894564,SIHKZQDGUPOURP,Polyketides,Meroterpenoids,,Cordia fragrantissima,6063324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Cordia'],['Cordia fragrantissima'],4,0,6.748168468475342
3444,4027,-1,,,,0.46226275,ISDB,HKPWFXFDARLLFG-XZZSVINISA-N,"InChI=1S/C27H42O/c1-17(5-6-19-15-18(19)2)23-9-10-24-22-8-7-20-16-21(28)11-13-26(20,3)25(22)12-14-27(23,24)4/h5-7,17-19,21-25,28H,8-16H2,1-4H3/b6-5+/t17-,18-,19+,21+,22+,23-,24+,25+,26+,27-/m1/s1",C[C@H](/C=C/[C@H]1C[C@H]1C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O,,382.323565964,HKPWFXFDARLLFG,Terpenoids,Steroids,Cholestane steroids,Sarcophyton glaucum,475463.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sarcophyton'],['Sarcophyton glaucum'],2,0,3.849050998687744
3445,4026,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,VZOUDULKCUBJHR-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-15-30-14-1-2-17-32(28(38)12-8-22-6-10-24(34)26(36)20-22)18-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",NCCCNCCCCN(CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_1_1proton,530.310435064,VZOUDULKCUBJHR,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
3446,4026,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,MRBLTJLKQIHRTP-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-17-31(27(37)11-7-21-5-9-23(33)25(35)19-21)15-1-2-16-32(18-4-14-30)28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,33-36H,1-4,7-8,11-18,29-30H2",NCCCN(CCCCN(CCCN)C(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_1_1proton,530.310435064,MRBLTJLKQIHRTP,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
3447,4026,98,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,IWRAOCFRRTWUDF-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",NCCCN(CCCCNCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_1_1proton,530.310435064,IWRAOCFRRTWUDF,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
3448,4021,275,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,ZTALKMXOHWQNIA-LVMPZUNDSA-N,"InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+/t12-,14+,15-/m0/s1",CC(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O,C15H22O3,pos_1_minus1proton1magnesium,250.156894564,ZTALKMXOHWQNIA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,3,7.5
3449,4018,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FWGSHFYJMWZSAS-ASPSGQCQSA-N,"InChI=1S/C25H30O10/c1-5-16(11-27)23(29)32-12-17(7-9-26)24(30)33-18-10-14(3)25(35-31)8-6-13(2)20(25)21-19(18)15(4)22(28)34-21/h5-7,10,18-21,26-27,31H,4,8-9,11-12H2,1-3H3/b16-5+,17-7+/t18-,19-,20-,21+,25-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)COC(=O)/C(=C/C)CO)C=C(C)[C@]1(OO)CC=C(C)[C@H]21,C25H30O10,pos_2_2proton2acetonitrile,490.18389716,FWGSHFYJMWZSAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hymenopappus scabiosaeus,3899612.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Bahieae'],['Hymenopappus'],['Hymenopappus scabiosaeus'],6,3,7.5
3450,4018,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,TXVVKFYKGUBRGZ-YAGGNYMJSA-N,"InChI=1S/C25H30O10/c1-7-16-21(29)34-23(6)11-18(32-19(27)13(2)12-31-15(4)26)25-14(3)20(28)33-17(25)10-22(5,30)8-9-24(16,23)35-25/h10,16,18,30H,2-3,7-9,11-12H2,1,4-6H3/b17-10+/t16-,18-,22+,23+,24+,25+/m0/s1",C=C(COC(C)=O)C(=O)O[C@H]1C[C@@]2(C)OC(=O)[C@H](CC)[C@]23CC[C@@](C)(O)/C=C2/OC(=O)C(=C)[C@@]21O3,C25H30O10,pos_2_2proton2acetonitrile,490.18389716,TXVVKFYKGUBRGZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hoffmannanthus abbotianus,775696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Vernonia'],['Vernonia brachycalyx'],6,3,7.5
3451,4017,124,Fatty acids,Fatty amides,Primary amides,0.34690496,ISDB,ILRSCQWREDREME-UHFFFAOYSA-N,"InChI=1S/C12H25NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H2,13,14)",CCCCCCCCCCCC(N)=O,C12H25NO,,199.19361442,ILRSCQWREDREME,Fatty acids,Fatty amides,Primary amides,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,6.887619853019714
3452,4015,-1,,,,0.0,MS1_match,WTGXAWKVZMQEDA-FYPHCDFOSA-N,"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O,C15H19NO10,pos_1_1sodium,373.100895808,WTGXAWKVZMQEDA,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
3453,4015,-1,,,,0.0,MS1_match,RQFCJASXJCIDSX-BDXYJKHTSA-N,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9+/m1/s1",N=c1nc(O)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,C10H14N5O8P,pos_1_1proton1methanol,363.057999038,RQFCJASXJCIDSX,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3454,4015,-1,,,,0.0,MS1_match,RQFCJASXJCIDSX-BDXYJKHTSA-N,"InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9+/m1/s1",N=c1nc(O)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,C10H14N5O8P,pos_1_1proton1methanol,363.057999038,RQFCJASXJCIDSX,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3455,4012,396,Alkaloids,Ornithine alkaloids,Polyamines,0.49187115,ISDB,XMZKGYUPPWJMNS-RMKNXTFCSA-N,"InChI=1S/C16H25N3O2/c17-10-3-12-18-11-1-2-13-19-16(21)9-6-14-4-7-15(20)8-5-14/h4-9,18,20H,1-3,10-13,17H2,(H,19,21)/b9-6+",NCCCNCCCCNC(=O)/C=C/c1ccc(O)cc1,C16H25N3O2,,291.19467704,XMZKGYUPPWJMNS,Alkaloids,Ornithine alkaloids,Polyamines,Colocasia esculenta,1008203.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Colocasia'],['Colocasia esculenta'],1,3,4.4674845933914185
3456,4011,-1,,,,0.0,MS1_match,SQUGWQLBJZPYLB-URUZQALBSA-N,"InChI=1S/C19H24O9/c1-8-4-12(27-17(22)9(2)6-20)14-10(3)18(23)28-16(14)15-11(8)5-13(21)19(15,24)7-26-25/h11-16,20-21,24-25H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COO)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O9,pos_1_1proton1isopropanol,396.142032348,SQUGWQLBJZPYLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,0,7.0
3457,4011,-1,,,,0.0,MS1_match,ZPCBYJQZZRLGIS-QQHVDITLSA-N,"InChI=1S/C22H32O10/c1-3-4-5-6-7-8-9-10-11-29-21-20(28)18(26)16(24)14(32-21)12-30-22-19(27)17(25)15(23)13(2)31-22/h3-4,13-28H,9-12H2,1-2H3/b4-3+/t13-,14+,15-,16+,17+,18-,19+,20+,21+,22+/m0/s1",C/C=C/C#CC#CCCCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C22H32O10,pos_1_1proton,456.1995472239998,ZPCBYJQZZRLGIS,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
3458,4009,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6049581,ISDB,,,,,,,RVNBVQKDPQVSOY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.419832468032837
3459,4008,589,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,UMXUOKROQRJEPT-UHFFFAOYSA-N,"InChI=1S/C22H24O/c1-15(2)19-11-10-16(3)20-13-22(17(4)12-21(19)20)23-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3",Cc1cc2c(C(C)C)ccc(C)c2cc1OCc1ccccc1,C22H24O,pos_1_1proton1dmso,304.182715388,UMXUOKROQRJEPT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],6,3,7.5
3460,4004,-1,,,,0.58280367,ISDB,VKLUQIHDWABKNX-UHFFFAOYSA-N,"InChI=1S/C11H16O/c1-11-6-4-2-3-5-9(11)7-10(12)8-11/h7H,2-6,8H2,1H3",CC12CCCCCC1=CC(=O)C2,C11H16O,,164.120115132,VKLUQIHDWABKNX,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,8.331214666366577
3461,4003,-1,,,,0.5198359,ISDB,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.079343557357788
3462,4002,-1,,,,0.0,MS1_match,BRHDDEIRQPDPMG-WCBMZHEXSA-N,"InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1",C=C[C@]1(C)CC[C@@H](C(C)(C)O)O1,C10H18O2,pos_2MNa,170.130679816,BRHDDEIRQPDPMG,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3463,4000,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9186328,ISDB,,,,,,,REUVFPFCXKWJQA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.6745312213897705
3464,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
3465,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,3,7.5
3466,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
3467,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
3468,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
3469,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
3470,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-OAHLLOKOSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m1/s1",c1cc2c(c3c1C[C@@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
3471,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-OAHLLOKOSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m1/s1",c1cc2c(c3c1C[C@@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,3,7.5
3472,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
3473,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pseudoadunca,6130530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pseudoadunca'],6,3,7.5
3474,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
3475,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,3,7.5
3476,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
3477,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
3478,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver atlanticum,605770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver atlanticum'],6,3,7.5
3479,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,3,7.5
3480,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,7.5
3481,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,3,7.5
3482,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
3483,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria schleicheri,5728019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria schleicheri'],6,3,7.5
3484,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria bastardii,415543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria bastardii'],6,3,7.5
3485,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,3,7.5
3486,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,3,7.5
3487,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
3488,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,3,7.5
3489,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,3,7.5
3490,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,3,7.5
3491,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria judaica,5503537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria judaica'],6,3,7.5
3492,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,3,7.5
3493,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis repens,5728014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis repens'],6,3,7.5
3494,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
3495,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
3496,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PGINMPJZCWDQNT-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3",CN1C2Cc3cc4c(cc3C1Cc1cc3c(cc12)OCO3)OCO4,C19H17NO4,pos_1_1proton,323.11575802399994,PGINMPJZCWDQNT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
3497,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos claviculata,187661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos claviculata'],6,3,7.5
3498,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
3499,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver cambricum,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,3,7.5
3500,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lecoqii,6130826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lecoqii'],6,3,7.5
3501,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rupifragum,84025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rupifragum'],6,3,7.5
3502,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,3,7.5
3503,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,3,7.5
3504,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
3505,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
3506,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
3507,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis calliantha,6130313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis calliantha'],6,3,7.5
3508,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria gaillardotii,5503539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria gaillardotii'],6,3,7.5
3509,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,3,7.5
3510,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dubium,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,3,7.5
3511,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,3,7.5
3512,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria sepium,5503543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria sepium'],6,3,7.5
3513,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,7.5
3514,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria rostellata,5503542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria rostellata'],6,3,7.5
3515,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
3516,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
3517,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,3,7.5
3518,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis racemosa,978852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis racemosa'],6,3,7.5
3519,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,3,7.5
3520,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis dasyptera,6130343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis dasyptera'],6,3,7.5
3521,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis esquirolii,6130364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis esquirolii'],6,3,7.5
3522,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
3523,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
3524,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
3525,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PGINMPJZCWDQNT-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-20-14-2-10-4-16-18(23-8-21-16)6-12(10)15(20)3-11-5-17-19(7-13(11)14)24-9-22-17/h4-7,14-15H,2-3,8-9H2,1H3",CN1C2Cc3cc4c(cc3C1Cc1cc3c(cc12)OCO3)OCO4,C19H17NO4,pos_1_1proton,323.11575802399994,PGINMPJZCWDQNT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
3526,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria asepala,5503538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria asepala'],6,3,7.5
3527,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos claviculata,187661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos claviculata'],6,3,7.5
3528,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
3529,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
3530,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
3531,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-OAHLLOKOSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m1/s1",c1cc2c(c3c1C[C@@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
3532,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-OAHLLOKOSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m1/s1",c1cc2c(c3c1C[C@@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,3,7.5
3533,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
3534,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pseudoadunca,6130530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pseudoadunca'],6,3,7.5
3535,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
3536,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,3,7.5
3537,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
3538,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
3539,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver atlanticum,605770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver atlanticum'],6,3,7.5
3540,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,3,7.5
3541,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,7.5
3542,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,3,7.5
3543,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
3544,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria schleicheri,5728019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria schleicheri'],6,3,7.5
3545,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria bastardii,415543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria bastardii'],6,3,7.5
3546,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,3,7.5
3547,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,3,7.5
3548,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
3549,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,3,7.5
3550,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,3,7.5
3551,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,3,7.5
3552,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria judaica,5503537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria judaica'],6,3,7.5
3553,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,3,7.5
3554,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria asepala,5503538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria asepala'],6,3,7.5
3555,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
3556,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,3,7.5
3557,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,3,7.5
3558,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis repens,5728014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis repens'],6,3,7.5
3559,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
3560,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver cambricum,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,3,7.5
3561,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lecoqii,6130826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lecoqii'],6,3,7.5
3562,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rupifragum,84025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rupifragum'],6,3,7.5
3563,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,3,7.5
3564,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,3,7.5
3565,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
3566,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
3567,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
3568,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis calliantha,6130313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis calliantha'],6,3,7.5
3569,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria gaillardotii,5503539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria gaillardotii'],6,3,7.5
3570,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dubium,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,3,7.5
3571,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
3572,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
3573,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,3,7.5
3574,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,7.5
3575,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria rostellata,5503542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria rostellata'],6,3,7.5
3576,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-HNNXBMFYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2/t15-/m0/s1",c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.11575802399994,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
3577,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
3578,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,3,7.5
3579,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis racemosa,978852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis racemosa'],6,3,7.5
3580,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,3,7.5
3581,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis dasyptera,6130343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis dasyptera'],6,3,7.5
3582,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis esquirolii,6130364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis esquirolii'],6,3,7.5
3583,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
3584,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
3585,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
3586,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
3587,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UXYJCYXWJGAKQY-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2",c1cc2c(c3c1CC1c4cc5c(cc4CCN1C3)OCO5)OCO2,C19H17NO4,pos_1_1proton,323.115758024,UXYJCYXWJGAKQY,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria sepium,5503543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria sepium'],6,3,7.5
3588,3999,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VCIZOTXPSIGTKG-UHFFFAOYSA-N,"InChI=1S/C19H17NO4/c1-20-7-14-11-4-17-16(21-8-22-17)3-10(11)2-15(20)13-6-19-18(5-12(13)14)23-9-24-19/h3-6,14-15H,2,7-9H2,1H3",CN1CC2c3cc4c(cc3CC1c1cc3c(cc12)OCO3)OCO4,C19H17NO4,pos_1_1proton,323.115758024,VCIZOTXPSIGTKG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
3589,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,3,8.5
3590,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,3,8.5
3591,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,3,8.5
3592,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3593,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3594,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,3,8.5
3595,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,3,8.5
3596,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,3,8.5
3597,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,3,8.5
3598,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
3599,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea nivea,370985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella nivea'],7,3,8.5
3600,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
3601,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,3,8.5
3602,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
3603,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
3604,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea inermis,3894049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea inermis'],7,3,8.5
3605,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
3606,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
3607,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
3608,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,3,8.5
3609,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,3,8.5
3610,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
3611,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
3612,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,3,8.5
3613,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,3,8.5
3614,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
3615,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea nivea,370985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella nivea'],7,3,8.5
3616,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
3617,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,3,8.5
3618,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,3,8.5
3619,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea virgata,856234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea virgata'],7,3,8.5
3620,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,3,8.5
3621,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,3,8.5
3622,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum centauroides,3894233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea centauroides'],7,3,8.5
3623,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Leuzea centauroides,5537493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea centauroides'],7,3,8.5
3624,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
3625,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
3626,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
3627,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,3,8.5
3628,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,3,8.5
3629,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea virgata,856234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea virgata'],7,3,8.5
3630,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea inermis,3894049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea inermis'],7,3,8.5
3631,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
3632,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,3,8.5
3633,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
3634,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
3635,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea nivea,370985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella nivea'],7,3,8.5
3636,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,3,8.5
3637,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
3638,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
3639,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum centauroides,3894233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea centauroides'],7,3,8.5
3640,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Leuzea centauroides,5537493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea centauroides'],7,3,8.5
3641,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
3642,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,3,8.5
3643,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,3,8.5
3644,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
3645,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,3,8.5
3646,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,3,8.5
3647,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
3648,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,3,8.5
3649,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
3650,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,3,8.5
3651,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
3652,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea virgata,856234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea virgata'],7,3,8.5
3653,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea inermis,3894049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea inermis'],7,3,8.5
3654,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
3655,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
3656,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,3,8.5
3657,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,3,8.5
3658,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,3,8.5
3659,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,3,8.5
3660,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3661,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3662,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,3,8.5
3663,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,3,8.5
3664,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,3,8.5
3665,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,3,8.5
3666,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
3667,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KVPJGPIXMGFGFH-OWQBGRFZSA-N,"InChI=1S/C21H20O11/c22-7-14-16(26)17(27)19(29)21(32-14)31-13-6-12-10(5-11(13)24)15(25)18(28)20(30-12)8-1-3-9(23)4-2-8/h1-6,14,16-17,19,21-24,26-29H,7H2/t14-,16-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc12,C21H20O11,pos_1_1proton,448.10056146,KVPJGPIXMGFGFH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
3668,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,KVPJGPIXMGFGFH-OWQBGRFZSA-N,"InChI=1S/C21H20O11/c22-7-14-16(26)17(27)19(29)21(32-14)31-13-6-12-10(5-11(13)24)15(25)18(28)20(30-12)8-1-3-9(23)4-2-8/h1-6,14,16-17,19,21-24,26-29H,7H2/t14-,16-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc12,C21H20O11,pos_1_1proton,448.10056146,KVPJGPIXMGFGFH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
3669,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,3,8.5
3670,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
3671,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,3,8.5
3672,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,3,8.5
3673,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3674,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
3675,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
3676,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
3677,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
3678,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,3,8.5
3679,3998,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,3,8.5
3680,3997,313,Carbohydrates,Saccharides,Disaccharides,0.2885863,ISDB,SHZGCJCMOBCMKK-JFNONXLTSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1",C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Plantago maritima,236705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago maritima'],6,3,8.654345154762268
3681,3995,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5363615,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,0,8.145446062088013
3682,3995,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5363615,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,0,8.145446062088013
3683,3995,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5363615,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,0,8.145446062088013
3684,3995,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5363615,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,0,8.145446062088013
3685,3995,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5363615,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Hypecoum imberbe,188913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum imberbe'],6,0,8.145446062088013
3686,3994,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.8183156,ISDB,,,,,,,HBJXRRXWHSHZPU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.2732625007629395
3687,3993,456,Fatty acids,Fatty Acids and Conjugates,Heterocyclic fatty acids,0.28825632,ISDB,YOARHWRAPPIWLA-UHFFFAOYSA-N,"InChI=1S/C19H32O3/c1-5-6-9-12-17-15(2)16(3)18(22-17)13-10-7-8-11-14-19(20)21-4/h5-14H2,1-4H3",CCCCCc1oc(CCCCCCC(=O)OC)c(C)c1C,C19H32O3,,308.235144884,YOARHWRAPPIWLA,Fatty acids,Fatty Acids and Conjugates,Heterocyclic fatty acids,Procambarus clarkii,79864.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Malacostraca'],['Decapoda'],['Cambaridae'],['Unknown'],['Procambarus'],['Procambarus clarkii'],2,3,4.653025269508362
3688,3990,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.74139327,ISDB,QXPNCCVBNLAVEG-SFTDATJTSA-N,"InChI=1S/C21H21NO6/c1-22-6-5-12-7-16-17(26-10-25-16)8-14(12)21(22)9-13-3-4-15-19(27-11-24-15)18(13)20(23-2)28-21/h3-4,7-8,20H,5-6,9-11H2,1-2H3/t20-,21-/m0/s1",CO[C@H]1O[C@@]2(Cc3ccc4c(c31)OCO4)c1cc3c(cc1CCN2C)OCO3,C21H21NO6,,383.136887392,QXPNCCVBNLAVEG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,10.465573072433472
3689,3985,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WTDRDQBEARUVNC-LURJTMIESA-N,"InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1",N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O,C9H11NO4,pos_1_1proton1ethylamine,197.068807832,WTDRDQBEARUVNC,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,7.5
3690,3983,-1,,,,0.31865764,ISDB,BIXCWCVYGIQELL-QURGRASLSA-N,"InChI=1S/C32H58N2O7/c1-6-7-8-9-10-11-12-13-14-15-16-20-27(35)41-26(22-21-24(2)3)28(36)29(37)30(40-5)31(38)33-25-19-17-18-23-34(4)32(25)39/h21-22,24-26,28-30,36-37H,6-20,23H2,1-5H3,(H,33,38)/b22-21+",CCCCCCCCCCCCCC(=O)OC(/C=C/C(C)C)C(O)C(O)C(OC)C(=O)NC1CCCCN(C)C1=O,C32H58N2O7,,582.424402196,BIXCWCVYGIQELL,Amino acids and Peptides,Oligopeptides,Lipopeptides,Rhabdastrella globostellata,583165.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Rhabdastrella'],['Rhabdastrella globostellata'],1,0,2.274630546569824
3691,3981,-1,,,,0.5294889,ISDB,XMGQNBFCAUFSGC-RXHMHPOJSA-N,"InChI=1S/C19H30O3/c1-13(11-20)5-7-15-14(2)6-8-16-18(15,3)10-9-17(22)19(16,4)12-21/h5,11,15-17,21-22H,2,6-10,12H2,1,3-4H3/b13-5+/t15-,16+,17+,18+,19-/m0/s1",C=C1CC[C@H]2[C@](C)(CO)[C@H](O)CC[C@]2(C)[C@H]1C/C=C(\C)C=O,C19H30O3,,306.21949482,XMGQNBFCAUFSGC,Terpenoids,Diterpenoids,Labdane diterpenoids,Croton laui,3913830.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton laui'],1,0,3.1179556846618652
3692,3977,929,Terpenoids,Flavonoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.3549281,ISDB,VFDSADAZGWKTDR-FURYIGOFSA-N,"InChI=1S/C32H38O5/c1-19(2)13-15-30-18-24-23(17-21(5)33)32(27(30)36,25(34)22-11-9-8-10-12-22)28(37)31(26(30)35,29(24,6)7)16-14-20(3)4/h8-14,23-24H,15-18H2,1-7H3/t23-,24-,30-,31+,32+/m0/s1",CC(=O)C[C@H]1[C@@H]2C[C@]3(CC=C(C)C)C(=O)[C@@]1(C(=O)c1ccccc1)C(=O)[C@@](CC=C(C)C)(C3=O)C2(C)C,C32H38O5,,502.2719243159999,VFDSADAZGWKTDR,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Garcinia oblongifolia,835261.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia oblongifolia'],1,3,3.9197124242782593
3693,3974,-1,,,,0.2035247,ISDB,PWEKCZHKMCHXSQ-MKWQSKJTSA-N,"InChI=1S/C19H32O4/c20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-18-19(22)17-21/h6,8,14,16,19-22H,1-5,7,9,11,13,15,17-18H2/b8-6-,16-14-/t19-/m0/s1",OCCCCCCCCCC/C=C\C#C/C=C\OC[C@@H](O)CO,C19H32O4,,324.23005950399994,PWEKCZHKMCHXSQ,Fatty acids,Glycerolipids,Monoacylglycerols,Raspailia ramosa,353967.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Raspailiidae'],['Unknown'],['Raspailia'],['Raspailia ramosa'],2,0,2.8140987753868103
3694,3974,-1,,,,0.2035247,ISDB,PWEKCZHKMCHXSQ-MKWQSKJTSA-N,"InChI=1S/C19H32O4/c20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-23-18-19(22)17-21/h6,8,14,16,19-22H,1-5,7,9,11,13,15,17-18H2/b8-6-,16-14-/t19-/m0/s1",OCCCCCCCCCC/C=C\C#C/C=C\OC[C@@H](O)CO,C19H32O4,,324.23005950399994,PWEKCZHKMCHXSQ,Fatty acids,Glycerolipids,Monoacylglycerols,Raspailia pumila,353967.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Raspailiidae'],['Unknown'],['Raspailia'],['Raspailia ramosa'],2,0,2.8140987753868103
3695,3973,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.77287495,ISDB,WPYIYVXSMXASQL-PEBLQZBPSA-N,"InChI=1S/C14H27NO/c1-9(2)13-7-12(16)8-14-10(3)5-6-11(4)15(13)14/h9-14,16H,5-8H2,1-4H3/t10-,11-,12+,13+,14-/m1/s1",CC(C)[C@@H]1C[C@H](O)C[C@@H]2[C@H](C)CC[C@@H](C)N21,C14H27NO,,225.209264484,WPYIYVXSMXASQL,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Plumeria rubra,590760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Plumerieae'],['Plumeria'],['Plumeria rubra'],0,0,3.0914998054504395
3696,3971,245,,,,0.30482492,ISDB,,,,,,,ZWZFSAQAVFMLAV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.2192996740341187
3697,3967,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6106824,ISDB,UJADCNYXDHHISU-QMVSFRDZSA-N,"InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14+/m1/s1",C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12,C15H20O2,,232.14632988,UJADCNYXDHHISU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,9.442729711532593
3698,3967,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6106824,ISDB,UJADCNYXDHHISU-QMVSFRDZSA-N,"InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14+/m1/s1",C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12,C15H20O2,,232.14632988,UJADCNYXDHHISU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,9.442729711532593
3699,3967,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6106824,ISDB,UJADCNYXDHHISU-QMVSFRDZSA-N,"InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14+/m1/s1",C=C1CC[C@H]2C(=C)CC[C@@H]3[C@H](OC(=O)[C@@H]3C)[C@@H]12,C15H20O2,,232.14632988,UJADCNYXDHHISU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,9.442729711532593
3700,3966,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,LDVNKZYMYPZDAI-OALJRIMGSA-N,"InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17+,18-,21+,22-,24-,25-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c(O)c([C@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)c(O)c12,C25H26O13,pos_1_1proton,534.137340892,LDVNKZYMYPZDAI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
3701,3966,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,LDVNKZYMYPZDAI-OALJRIMGSA-N,"InChI=1S/C25H26O13/c26-9-3-1-8(2-4-9)13-5-10(27)14-19(32)15(24-21(34)17(30)11(28)6-36-24)20(33)16(23(14)38-13)25-22(35)18(31)12(29)7-37-25/h1-5,11-12,17-18,21-22,24-26,28-35H,6-7H2/t11-,12-,17+,18-,21+,22-,24-,25-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)c(O)c([C@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)c(O)c12,C25H26O13,pos_1_1proton,534.137340892,LDVNKZYMYPZDAI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
3702,3964,-1,,,,0.49703208,ISDB,RPKUCYSGAXIESU-ABLWVSNPSA-N,"InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2/t12?,13-/m0/s1",Oc1ccc([C@@H]2CC(O)c3c(O)cc(O)cc3O2)cc1,C15H14O5,,274.084123548,RPKUCYSGAXIESU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,0,3.9881283044815063
3703,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Poa huecu,3950744.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Poa'],['Poa huecu'],6,0,6.0
3704,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cymbopogon martini,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
3705,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spartina cynosuroides,422340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Zoysieae'],['Sporobolus'],['Sporobolus cynosuroides'],6,0,6.0
3706,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-KUENWNPSSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Eragrostis tef,1094963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Eragrostideae'],['Eragrostis'],['Eragrostis tef'],6,0,6.0
3707,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3708,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Desmostachya bipinnata,266854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Cynodonteae'],['Desmostachya'],['Desmostachya bipinnata'],6,0,6.0
3709,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Eleusine indica,762953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Cynodonteae'],['Eleusine'],['Eleusine indica'],6,0,6.0
3710,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Paspalum scrobiculatum,1094540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paspaleae'],['Paspalum'],['Paspalum scrobiculatum'],6,0,6.0
3711,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Poa huecu,3950744.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Poa'],['Poa huecu'],6,0,6.0
3712,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Arundo donax,659304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundineae'],['Arundo'],['Arundo donax'],6,0,6.0
3713,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cymbopogon martinii,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
3714,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cymbopogon martini,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
3715,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spartina cynosuroides,422340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Zoysieae'],['Sporobolus'],['Sporobolus cynosuroides'],6,0,6.0
3716,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-KUENWNPSSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Eragrostis tef,1094963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Eragrostideae'],['Eragrostis'],['Eragrostis tef'],6,0,6.0
3717,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3718,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Desmostachya bipinnata,266854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Cynodonteae'],['Desmostachya'],['Desmostachya bipinnata'],6,0,6.0
3719,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Eleusine indica,762953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Cynodonteae'],['Eleusine'],['Eleusine indica'],6,0,6.0
3720,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Paspalum scrobiculatum,1094540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paspaleae'],['Paspalum'],['Paspalum scrobiculatum'],6,0,6.0
3721,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Poa huecu,3950744.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Poa'],['Poa huecu'],6,0,6.0
3722,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Arundo donax,659304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundineae'],['Arundo'],['Arundo donax'],6,0,6.0
3723,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cymbopogon martinii,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
3724,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cymbopogon martini,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
3725,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Spartina cynosuroides,422340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Zoysieae'],['Sporobolus'],['Sporobolus cynosuroides'],6,0,6.0
3726,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-KUENWNPSSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.4389896399998,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Eragrostis tef,1094963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Eragrostideae'],['Eragrostis'],['Eragrostis tef'],6,0,6.0
3727,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3728,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Desmostachya bipinnata,266854.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Cynodonteae'],['Desmostachya'],['Desmostachya bipinnata'],6,0,6.0
3729,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Eleusine indica,762953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Cynodonteae'],['Eleusine'],['Eleusine indica'],6,0,6.0
3730,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Paspalum scrobiculatum,1094540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paspaleae'],['Paspalum'],['Paspalum scrobiculatum'],6,0,6.0
3731,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Cymbopogon martinii,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
3732,3963,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Arundo donax,659304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundineae'],['Arundo'],['Arundo donax'],6,0,6.0
3733,3962,-1,,,,0.46951702,ISDB,ZERMYLJEHPYWJD-CYBMUJFWSA-N,"InChI=1S/C15H20N4O3/c1-22-12-6-4-10(9-11(12)20)5-7-14(21)18-13-3-2-8-19(13)15(16)17/h4-7,9,13,20H,2-3,8H2,1H3,(H3,16,17)(H,18,21)/t13-/m1/s1",COc1ccc(C=CC(=O)N[C@H]2CCCN2C(=N)N)cc1O,C15H20N4O3,,304.1535405,ZERMYLJEHPYWJD,Alkaloids,,,Solanum cernuum,915428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum cernuum'],8,0,9.878068089485168
3734,3961,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.24718702,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.488748073577881
3735,3960,-1,,,,0.2891503,ISDB,KTXOHEGYWWVREA-UCUJLANTSA-N,"InChI=1S/C13H18O3/c1-5-9(2)6-7-11-10(3)12(15-4)8-13(14)16-11/h6-9H,5H2,1-4H3/b7-6+/t9-/m0/s1",CC[C@H](C)/C=C/c1oc(=O)cc(OC)c1C,C13H18O3,,222.125594436,KTXOHEGYWWVREA,Polyketides,Cyclic polyketides,2-pyrone derivatives,Placida dendritica,322148.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Sacoglossa'],['Limapontiidae'],['Unknown'],['Placida'],['Placida dendritica'],2,0,3.1566011905670166
3736,3958,-1,,,,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton1isopropanol,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3737,3956,922,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,IBDIFTBEAJHIPD-NOJQTOCASA-N,"InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h3,9-15,17-22H,4-7H2,1-2H3/t9-,10-,11+,12-,13+,14-,15-,16-/m1/s1",CC(C)=CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C16H28O10,pos_1_1sodium,380.1682470959999,IBDIFTBEAJHIPD,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,3,8.5
3738,3956,922,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,DZEALCQVCAOHSL-NOJQTOCASA-N,"InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h9-15,17-22H,1,3-7H2,2H3/t9-,10-,11+,12-,13+,14-,15-,16-/m1/s1",C=C(C)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C16H28O10,pos_1_1sodium,380.168247096,DZEALCQVCAOHSL,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,3,8.5
3739,3953,-1,,,,0.0,MS1_match,SYVYRCZGWRMKCF-UCMODRJZSA-N,"InChI=1S/C23H30O5/c1-16-8-12-23(15-28-17(2)24)19(21(25)26-4)6-5-7-20(23)22(16,3)11-9-18-10-13-27-14-18/h5-7,10,13-14,16,20H,8-9,11-12,15H2,1-4H3/t16-,20-,22+,23-/m1/s1",COC(=O)C1=CC=C[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCc1ccoc1,C23H30O5,pos_2MMg,386.20932406,SYVYRCZGWRMKCF,Terpenoids,Diterpenoids,Halimane diterpenoids,Nidorella ivifolia,7051132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella ivifolia'],6,0,6.0
3740,3953,-1,,,,0.0,MS1_match,BJEXNBCFXFRLTL-KYFNTWMPSA-N,"InChI=1S/C23H30O5/c1-17-8-9-20(16-28-18(2)24)21(22(25)26-4)7-5-6-12-23(17,3)13-10-19-11-14-27-15-19/h5-7,11,14-17H,8-10,12-13H2,1-4H3/b6-5-,20-16-,21-7+/t17-,23+/m1/s1",COC(=O)/C1=C/C=C\C[C@@](C)(CCc2ccoc2)[C@H](C)CC\C1=C\OC(C)=O,C23H30O5,pos_2MMg,386.20932406,BJEXNBCFXFRLTL,Terpenoids,Diterpenoids,,Nidorella ivifolia,7051132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella ivifolia'],6,0,6.0
3741,3953,-1,,,,0.0,MS1_match,CZZAJXDYJLEVJF-IVKXXKMFSA-N,"InChI=1S/C25H30O3/c1-7-25(6)15-19(14-17(4)11-8-10-16(2)3)27-23-21-18(5)12-9-13-20(21)28-24(26)22(23)25/h7,9-10,12-14,19H,1,8,11,15H2,2-6H3/b17-14+/t19-,25+/m1/s1",C=C[C@@]1(C)C[C@@H](/C=C(\C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21,C25H30O3,pos_2MCa,378.21949482,CZZAJXDYJLEVJF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Nassauvia pygmaea,1064263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Nassauvia'],['Nassauvia pygmaea'],6,0,6.0
3742,3953,-1,,,,0.0,MS1_match,CZZAJXDYJLEVJF-UHFFFAOYSA-N,"InChI=1S/C25H30O3/c1-7-25(6)15-19(14-17(4)11-8-10-16(2)3)27-23-21-18(5)12-9-13-20(21)28-24(26)22(23)25/h7,9-10,12-14,19H,1,8,11,15H2,2-6H3",C=CC1(C)CC(C=C(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21,C25H30O3,pos_2MCa,378.21949482,CZZAJXDYJLEVJF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Nassauvia digitata,837731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Nassauvia'],['Nassauvia digitata'],6,0,6.0
3743,3953,-1,,,,0.0,MS1_match,CZZAJXDYJLEVJF-UHFFFAOYSA-N,"InChI=1S/C25H30O3/c1-7-25(6)15-19(14-17(4)11-8-10-16(2)3)27-23-21-18(5)12-9-13-20(21)28-24(26)22(23)25/h7,9-10,12-14,19H,1,8,11,15H2,2-6H3",C=CC1(C)CC(C=C(C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21,C25H30O3,pos_2MCa,378.21949482,CZZAJXDYJLEVJF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Nassauvia pyramidalis,894974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Nassauvia'],['Nassauvia pyramidalis'],6,0,6.0
3744,3953,-1,,,,0.0,MS1_match,CZZAJXDYJLEVJF-IVKXXKMFSA-N,"InChI=1S/C25H30O3/c1-7-25(6)15-19(14-17(4)11-8-10-16(2)3)27-23-21-18(5)12-9-13-20(21)28-24(26)22(23)25/h7,9-10,12-14,19H,1,8,11,15H2,2-6H3/b17-14+/t19-,25+/m1/s1",C=C[C@@]1(C)C[C@@H](/C=C(\C)CCC=C(C)C)Oc2c1c(=O)oc1cccc(C)c21,C25H30O3,pos_2MCa,378.21949482,CZZAJXDYJLEVJF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Triptilion benaventei,6059608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Triptilion'],['Triptilion benaventei'],6,0,6.0
3745,3953,-1,,,,0.0,MS1_match,MYDHIEBHOGWYCY-NJRIWPDDSA-N,"InChI=1S/C25H30O3/c1-16(2)10-7-11-17(3)12-9-15-25(6)19(5)22-23(28-25)21-18(4)13-8-14-20(21)27-24(22)26/h8-10,12-15,19H,7,11H2,1-6H3/b15-9+,17-12+/t19-,25-/m1/s1",CC(C)=CCC/C(C)=C/C=C/[C@@]1(C)Oc2c(c(=O)oc3cccc(C)c23)[C@H]1C,C25H30O3,pos_2MCa,378.21949482,MYDHIEBHOGWYCY,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Nassauvia pyramidalis,894974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Nassauvia'],['Nassauvia pyramidalis'],6,0,6.0
3746,3953,-1,,,,0.0,MS1_match,MYDHIEBHOGWYCY-NJRIWPDDSA-N,"InChI=1S/C25H30O3/c1-16(2)10-7-11-17(3)12-9-15-25(6)19(5)22-23(28-25)21-18(4)13-8-14-20(21)27-24(22)26/h8-10,12-15,19H,7,11H2,1-6H3/b15-9+,17-12+/t19-,25-/m1/s1",CC(C)=CCC/C(C)=C/C=C/[C@@]1(C)Oc2c(c(=O)oc3cccc(C)c23)[C@H]1C,C25H30O3,pos_2MCa,378.21949482,MYDHIEBHOGWYCY,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Triptilion benaventei,6059608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Triptilion'],['Triptilion benaventei'],6,0,6.0
3747,3953,-1,,,,0.0,MS1_match,XXTWDEZYEZHDNG-KNGQQDNVSA-N,"InChI=1S/C25H30O3/c1-7-25(6)15-19(14-17(4)11-8-10-16(2)3)27-24-22(25)23(26)21-18(5)12-9-13-20(21)28-24/h7,9-10,12-14,19H,1,8,11,15H2,2-6H3/b17-14+/t19-,25+/m0/s1",C=C[C@]1(C)C[C@H](/C=C(\C)CCC=C(C)C)Oc2oc3cccc(C)c3c(=O)c21,C25H30O3,pos_2MCa,378.21949482,XXTWDEZYEZHDNG,Polyketides,Chromanes,Chromones,Triptilion spinosum,1060868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Triptilion'],['Triptilion spinosum'],6,0,6.0
3748,3952,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3749,3952,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ammonium,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3750,3950,-1,,,,0.28944397,ISDB,DCRHXNVYSDSBAV-XHNXRLJJSA-N,"InChI=1S/C21H30O2/c1-16(2)7-5-8-17(3)9-6-13-21(4)14-12-18-15-19(22)10-11-20(18)23-21/h7,9-11,15,22H,5-6,8,12-14H2,1-4H3/b17-9+/t21-/m0/s1",CC(C)=CCC/C(C)=C/CC[C@@]1(C)CCc2cc(O)ccc2O1,C21H30O2,,314.2245802,DCRHXNVYSDSBAV,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Dendrodoris grandiflora,2875527.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Dendrodorididae'],['Unknown'],['Dendrodoris'],['Dendrodoris grandiflora'],4,0,5.15777587890625
3751,3947,-1,,,,0.0,MS1_match,BLNDDYNVUIBQFL-KSQKUNDXSA-N,"InChI=1S/C19H32O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h8,11,14-15,17-18H,3-7,9-10,12-13,16H2,1-2H3/b11-8-,17-14+,18-15+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H32O3,pos_1_1proton1methanol,308.235144884,BLNDDYNVUIBQFL,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3752,3945,-1,,,,0.0,MS1_match,GWDRJZOJNRYLAE-GSIFDGDRSA-N,"InChI=1S/C44H70O17/c1-18-8-13-44(61-38(18)53)19(2)29-27(60-44)15-25-23-7-6-21-14-22(9-11-42(21,4)24(23)10-12-43(25,29)5)56-41-37(59-40-34(51)32(49)30(47)20(3)55-40)35(52)36(28(16-45)57-41)58-39-33(50)31(48)26(46)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O17,pos_2_1magnesium,870.46130078,GWDRJZOJNRYLAE,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0
3753,3945,-1,,,,0.0,MS1_match,GREXOESHYXPSMM-RZZVIPFMSA-N,"InChI=1S/C44H70O17/c1-18-8-13-44(61-38(18)53)19(2)29-27(60-44)15-25-23-7-6-21-14-22(9-11-42(21,4)24(23)10-12-43(25,29)5)56-41-37(59-40-35(52)33(50)30(47)20(3)55-40)36(32(49)28(16-45)57-41)58-39-34(51)31(48)26(46)17-54-39/h6,18-20,22-41,45-53H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26-,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H70O17,pos_2_1magnesium,870.46130078,GREXOESHYXPSMM,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0
3754,3945,-1,,,,0.0,MS1_match,WOZRNTKZPORAKW-ZOIRUQMTSA-N,"InChI=1S/C44H70O17/c1-18-12-28(47)44(56-16-18)20(3)43(54)29(61-44)14-25-23-7-6-22-13-21(8-10-41(22,4)24(23)9-11-42(25,43)5)36-38(60-40-35(53)33(51)30(48)19(2)57-40)37(32(50)27(15-45)58-36)59-39-34(52)31(49)26(46)17-55-39/h6,18-21,23-40,45-54H,7-17H2,1-5H3/t18-,19-,20-,21-,23+,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@@H](O)C1,C44H70O17,pos_2_1magnesium,870.46130078,WOZRNTKZPORAKW,Terpenoids,Steroids,Spirostane steroids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0
3755,3945,-1,,,,0.0,MS1_match,WOZRNTKZPORAKW-ZOIRUQMTSA-N,"InChI=1S/C44H70O17/c1-18-12-28(47)44(56-16-18)20(3)43(54)29(61-44)14-25-23-7-6-22-13-21(8-10-41(22,4)24(23)9-11-42(25,43)5)36-38(60-40-35(53)33(51)30(48)19(2)57-40)37(32(50)27(15-45)58-36)59-39-34(52)31(49)26(46)17-55-39/h6,18-21,23-40,45-54H,7-17H2,1-5H3/t18-,19-,20-,21-,23+,24-,25-,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44-/m0/s1",C[C@@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H]([C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@@H](O)C1,C44H70O17,pos_2_1magnesium,870.46130078,WOZRNTKZPORAKW,Terpenoids,Steroids,Spirostane steroids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0
3756,3943,-1,,,,0.0,MS1_match,FIAAVMJLAGNUKW-CRLPPWHZSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17+,18+,21-,22-,23+,24-,26-,27-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_3_3sodium,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
3757,3943,-1,,,,0.0,MS1_match,FIAAVMJLAGNUKW-VQVVXJKKSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_3_3sodium,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],8,0,8.0
3758,3943,-1,,,,0.0,MS1_match,IXWDYBPIGZKUPJ-NRZIVTIESA-N,"InChI=1S/C27H30O15/c1-37-16-3-2-10(4-12(16)28)17-7-14(30)20-13(29)5-11(6-18(20)41-17)40-27-25(36)23(34)22(33)19(42-27)9-39-26-24(35)21(32)15(31)8-38-26/h2-7,15,19,21-29,31-36H,8-9H2,1H3/t15-,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5OC[C@@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C27H30O15,pos_3_3sodium,594.15847026,IXWDYBPIGZKUPJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
3759,3942,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.20982122,ISDB,CTGMCYNSUYQXFH-FVOPLDGLSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-13(17)23-12(15(19)20)8-14(18)22-2/h3-7,12,16H,8H2,1-2H3,(H,19,20)/b6-4+/t12-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)O,C15H16O8,,324.084517472,CTGMCYNSUYQXFH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,6.339284896850586
3760,3940,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
3761,3939,1252,Alkaloids,Small peptides,Dipeptides,0.25265214,ISDB,YSGSDAIMSCVPHG-YUMQZZPRSA-N,"InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)/t7-,8-/m0/s1",CSCC[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C10H20N2O3S,,248.1194635,YSGSDAIMSCVPHG,Amino acids and Peptides,Small peptides,Dipeptides,Aeromonas veronii,704628.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Aeromonadales'],['Aeromonadaceae'],['Unknown'],['Aeromonas'],['Aeromonas veronii'],0,3,2.5106085538864136
3762,3937,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,MRLVVVMKNONDOH-YGDYIFIGSA-N,"InChI=1S/C28H42O8/c1-13-9-21(36-25(34)16(13)12-29)14(2)17-5-6-18-15-10-23(32)28(35)24(33)20(30)11-22(31)27(28,4)19(15)7-8-26(17,18)3/h14-15,17-21,23-24,29-30,32-33,35H,5-12H2,1-4H3/t14-,15-,17+,18-,19-,20-,21+,23+,24-,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)[C@@H](O)[C@@H](O)CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O8,pos_1_1proton,506.28796830399983,MRLVVVMKNONDOH,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,3,7.5
3763,3937,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AYSGOPOJGPEGSU-DFDLQTNDSA-N,"InChI=1S/C28H42O8/c1-15-12-22(36-23(32)16(15)14-29)26(4,33)19-8-11-27(34)18-13-21(31)28(35)9-5-6-20(30)25(28,3)17(18)7-10-24(19,27)2/h17-19,21-22,29,31,33-35H,5-14H2,1-4H3/t17-,18+,19-,21+,22+,24+,25-,26+,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O8,pos_1_1proton,506.287968304,AYSGOPOJGPEGSU,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,3,7.5
3764,3937,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,ACWMDFSCLZNAMQ-IWGLUGRCSA-N,"InChI=1S/C28H42O8/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-20(30)27(34)9-6-7-19(29)24(27,4)17(18)8-10-23(26,28)3/h6-7,15-18,20-21,30,32-35H,8-14H2,1-5H3/t15-,16+,17-,18+,20+,21+,23-,24-,25-,26+,27-,28-/m0/s1",C[C@H]1C[C@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)OC(=O)[C@@H]1C,C28H42O8,pos_1_1proton,506.287968304,ACWMDFSCLZNAMQ,Terpenoids,Steroids,Ergostane steroids,Physalis cinerascens,950667.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis cinerascens'],6,3,7.5
3765,3937,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,DFSBDOXCQOJIAK-KVQZJPFPSA-N,"InChI=1S/C28H42O8/c1-14-10-21(36-25(34)17(14)12-29)15(2)18-4-5-19-16-11-24(33)28(35)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h15-16,18-21,23-24,29-30,32-33,35H,4-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)[C@@H](O)CCC(=O)[C@]5(CO)[C@H]4CC[C@]23C)C1,C28H42O8,pos_1_1proton,506.287968304,DFSBDOXCQOJIAK,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,3,7.5
3766,3935,-1,,,,0.52647316,ISDB,PLSSBWGEYMENGJ-XLIFQNPRSA-N,"InChI=1S/C16H26O8/c1-7-2-3-9-8(5-22-15(21)11(7)9)6-23-16-14(20)13(19)12(18)10(4-17)24-16/h7-14,16-20H,2-6H2,1H3/t7-,8+,9+,10+,11+,12+,13+,14-,16+/m0/s1",C[C@H]1CC[C@@H]2[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)COC(=O)[C@@H]21,C16H26O8,,346.162767792,PLSSBWGEYMENGJ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Patrinia villosa,971855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Patrinia'],['Patrinia villosa'],4,0,6.105892658233643
3767,3934,-1,,,,0.0,MS1_match,UVLDESQWQRMYKD-MOAZMYQBSA-N,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_1proton1acetonitrile,428.29265976,UVLDESQWQRMYKD,Terpenoids,Steroids,Spirostane steroids,Solanum amotapense,726194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amotapense'],8,0,8.0
3768,3934,-1,,,,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_1proton1acetonitrile,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,0,8.0
3769,3934,-1,,,,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_1proton1acetonitrile,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0
3770,3929,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.55925035,ISDB,ZTISUFWCUFPYRU-LUQYWBRNSA-N,"InChI=1S/C26H28O14/c1-8-19(32)22(35)23(36)26(37-8)40-25-20(33)16(7-27)39-24(25)18-13(31)6-15-17(21(18)34)12(30)5-14(38-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-36H,7H2,1H3/t8-,16-,19-,20-,22+,23+,24-,25+,26-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C26H28O14,,564.147905576,ZTISUFWCUFPYRU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],5,3,8.737001419067383
3771,3929,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.55925035,ISDB,ZTISUFWCUFPYRU-LUQYWBRNSA-N,"InChI=1S/C26H28O14/c1-8-19(32)22(35)23(36)26(37-8)40-25-20(33)16(7-27)39-24(25)18-13(31)6-15-17(21(18)34)12(30)5-14(38-15)9-2-3-10(28)11(29)4-9/h2-6,8,16,19-20,22-29,31-36H,7H2,1H3/t8-,16-,19-,20-,22+,23+,24-,25+,26-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C26H28O14,,564.147905576,ZTISUFWCUFPYRU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Sasa cernua,429794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Sasa'],['Sasa cernua'],5,3,8.737001419067383
3772,3925,206,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,PDQUFOPZEHNTQQ-ROUUACIJSA-N,"InChI=1S/C18H16O9/c1-24-13-14(21)18(17(23,15(13)25-2)16(22)26-3)12(20)8-11(27-18)9-4-6-10(19)7-5-9/h4-8,19,23H,1-3H3/t17-,18-/m0/s1",COC(=O)[C@@]1(O)C(OC)=C(OC)C(=O)[C@]12OC(c1ccc(O)cc1)=CC2=O,C18H16O9,pos_1_1proton2acetonitrile,376.07943209199993,PDQUFOPZEHNTQQ,Shikimates and Phenylpropanoids,,,Limnophila geoffrayi,3883276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Limnophila'],['Limnophila geoffrayi'],6,1,6.5
3773,3923,-1,,,,0.3003046,ISDB,FQPIJXGAKOKCQL-FUEXJSSKSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-14(19)23-12(8-13(17)18)15(20)22-2/h3-7,12,16H,8H2,1-2H3,(H,17,18)/b6-4+/t12-/m0/s1",COC(=O)[C@H](CC(=O)O)OC(=O)/C=C/c1ccc(O)c(OC)c1,C15H16O8,,324.084517472,FQPIJXGAKOKCQL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,0,5.201218366622925
3774,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JCWXWRIQSPDSKY-UHFFFAOYSA-N,"InChI=1S/C19H24O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-14H,7,9,15H2,1-3H3",CC(C)=CCCC(C)=CCOC(=O)C=Cc1ccccc1,C19H24O2,pos_2MMg,284.177630008,JCWXWRIQSPDSKY,Terpenoids,,,Ozothamnus stirlingii,526909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Ozothamnus'],['Ozothamnus stirlingii'],6,0,6.0
3775,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACTRLDZRLKIJEH-CYIVYTTFSA-N,"InChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3/b10-9+/t15-,16+,19+/m1/s1",CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/c1ccccc1)C2,C19H24O2,pos_2MMg,284.177630008,ACTRLDZRLKIJEH,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Verbesina luetzelburgii,7605869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina luetzelburgii'],6,0,6.0
3776,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ACTRLDZRLKIJEH-UHFFFAOYSA-N,"InChI=1S/C19H24O2/c1-18(2)15-11-12-19(18,3)16(13-15)21-17(20)10-9-14-7-5-4-6-8-14/h4-10,15-16H,11-13H2,1-3H3",CC1(C)C2CCC1(C)C(OC(=O)C=Cc1ccccc1)C2,C19H24O2,pos_2MMg,284.177630008,ACTRLDZRLKIJEH,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Montanoa tomentosa,1075868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Montanoa'],['Montanoa tomentosa'],6,0,6.0
3777,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ROCQALVSCLHHIN-JZHDPFOFSA-N,"InChI=1S/C19H24O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(5-2)21-18(3)20/h4-5,11-12,19H,1-2,6-10,13H2,3H3/b12-11-/t19-/m0/s1",C=CCCCCC/C=C\CC#CC#C[C@H](C=C)OC(C)=O,C19H24O2,pos_2MMg,284.177630008,ROCQALVSCLHHIN,,,,Aldama incana,757765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Viguiera'],['Viguiera incana'],6,0,6.0
3778,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ROCQALVSCLHHIN-JZHDPFOFSA-N,"InChI=1S/C19H24O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(5-2)21-18(3)20/h4-5,11-12,19H,1-2,6-10,13H2,3H3/b12-11-/t19-/m0/s1",C=CCCCCC/C=C\CC#CC#C[C@H](C=C)OC(C)=O,C19H24O2,pos_2MMg,284.177630008,ROCQALVSCLHHIN,,,,Syncretocarpus sericeus,234532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Syncretocarpus'],['Syncretocarpus sericeus'],6,0,6.0
3779,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NYEPURWTZKIWQB-UHFFFAOYSA-N,"InChI=1S/C19H24O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(2)20/h3-4,9-12H,13-18H2,1-2H3",CC=CC#CC#CC=CC=CCCCCCCOC(C)=O,C19H24O2,pos_2MMg,284.177630008,NYEPURWTZKIWQB,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Pleiotaxis rugosa,996682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Dicomeae'],['Pleiotaxis'],['Pleiotaxis rugosa'],6,0,6.0
3780,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JTJZAPIBVLUESF-VUKOWNLVSA-N,"InChI=1S/C19H24O2/c1-12-9-19-8-5-15-14(11-20)16(21)6-7-18(15,2)17(19)4-3-13(12)10-19/h5,8,13,17,20H,1,3-4,6-7,9-11H2,2H3/t13-,17+,18-,19-/m1/s1",C=C1C[C@@]23C=CC4=C(CO)C(=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3,C19H24O2,pos_2MMg,284.177630008,JTJZAPIBVLUESF,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Athrixia phylicoides,468782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Athrixia'],['Athrixia phylicoides'],6,0,6.0
3781,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZRWYJLKDVMFVOU-HWDJUHOGSA-N,"InChI=1S/C19H24O2/c1-12-14-5-8-18-9-13(19(10-18)11-21-19)3-4-16(18)17(14,2)7-6-15(12)20/h5,8,13,16H,3-4,6-7,9-11H2,1-2H3/t13-,16+,17-,18+,19-/m1/s1",CC1=C2C=C[C@@]34C[C@@H](CC[C@H]3[C@]2(C)CCC1=O)[C@]1(CO1)C4,C19H24O2,pos_2MMg,284.177630008,ZRWYJLKDVMFVOU,Terpenoids,Diterpenoids,,Athrixia phylicoides,468782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Athrixia'],['Athrixia phylicoides'],6,0,6.0
3782,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QJYJSVFFLGGXAF-WYJLNWIESA-N,"InChI=1S/C19H24O2/c1-4-6-8-10-11-13-15-17-19(21-18(3)20)16-14-12-9-7-5-2/h4-6,15,17,19H,2,7,9,12,14,16H2,1,3H3/b6-4-,17-15+/t19-/m0/s1",C=CCCCCC[C@@H](/C=C/C#CC#C/C=C\C)OC(C)=O,C19H24O2,pos_2MMg,284.177630008,QJYJSVFFLGGXAF,Fatty acids,Fatty acyls,Hydrocarbons,Inulanthera tridens,7596870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera tridens'],6,0,6.0
3783,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CCCIJQPRIXGQOE-XWSJACJDSA-N,"InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,C19H24O2,pos_2MMg,284.177630008,CCCIJQPRIXGQOE,Terpenoids,Steroids,Estrane steroids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],6,0,6.0
3784,3922,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CCCIJQPRIXGQOE-XWSJACJDSA-N,"InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1",C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,C19H24O2,pos_2MMg,284.177630008,CCCIJQPRIXGQOE,Terpenoids,Steroids,Estrane steroids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],6,0,6.0
3785,3920,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,NZVOYOFABUYBQT-YHINDDMVSA-N,"InChI=1S/C22H30O4/c1-15-18(7-6-17-8-11-25-13-17)22(4)10-5-9-21(3,14-23)20(22)12-19(15)26-16(2)24/h8,11,13-14,18-20H,1,5-7,9-10,12H2,2-4H3/t18-,19+,20-,21-,22+/m1/s1",C=C1[C@@H](OC(C)=O)C[C@H]2[C@@](C)(CCC[C@]2(C)C=O)[C@@H]1CCc1ccoc1,C22H30O4,pos_1_minus1proton1iron,358.21440944,NZVOYOFABUYBQT,Terpenoids,Diterpenoids,Labdane diterpenoids,Austroeupatorium chaparense,7602841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Austroeupatorium'],['Austroeupatorium chaparense'],6,3,7.5
3786,3919,-1,,,,0.5713592,ISDB,VXWHDXWEQVLWLW-JTQLQIEISA-N,"InChI=1S/C15H18O3/c1-8-4-5-11(7-13(16)17)6-12-9(2)10(3)15(18)14(8)12/h6,10H,4-5,7H2,1-3H3,(H,16,17)/t10-/m0/s1",CC1=C2C(=O)[C@@H](C)C(C)=C2C=C(CC(=O)O)CC1,C15H18O3,,246.125594436,VXWHDXWEQVLWLW,,,,Artemisia leucodes,154476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia leucodes'],4,0,6.2854368686676025
3787,3916,-1,,,,0.25741658,ISDB,YDKRGMXLBRWZJR-KTKRTIGZSA-N,"InChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCC(=O)NCCO,C22H43NO2,,353.329379616,YDKRGMXLBRWZJR,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,0,2.029666304588318
3788,3915,804,Shikimates and Phenylpropanoids,Diterpenoids,Gibberellins,0.0,MS1_match,LDVUQCXIQALIRF-RGCFCEDLSA-N,"InChI=1S/C21H26O11/c1-9-6-7-30-20(29)18(9)31-21-17(28)15(26)16(27)19(32-21)14(25)12(23)5-3-10-2-4-11(22)13(24)8-10/h2-5,8-9,14-19,21-22,24-28H,6-7H2,1H3/b5-3+/t9?,14?,15-,16-,17+,18?,19+,21?/m0/s1",CC1CCOC(=O)C1OC1O[C@H](C(O)C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C21H26O11,pos_1_1proton2acetonitrile,454.1475116519999,LDVUQCXIQALIRF,Shikimates and Phenylpropanoids,,,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,1,8.5
3789,3914,-1,,,,0.20599392,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Locusta migratoria,178934.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Orthoptera'],['Acrididae'],['Unknown'],['Locusta'],['Locusta migratoria'],2,0,2.823975682258606
3790,3914,-1,,,,0.20599392,ISDB,VOXZDWNPVJITMN-ADHGMGHFSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15+,16-,17-,18-/m0/s1",C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Ilybius fenestratus,571057.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Dytiscidae'],['Agabini'],['Ilybius'],['Ilybius fenestratus'],2,0,2.823975682258606
3791,3914,-1,,,,0.20599392,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Sarcophaga bullata,334389.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Sarcophagidae'],['Unknown'],['Sarcophaga'],['Sarcophaga bullata'],2,0,2.823975682258606
3792,3914,-1,,,,0.20599392,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Asterias rubens,721252.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Forcipulatida'],['Asteriidae'],['Unknown'],['Asterias'],['Asterias rubens'],2,0,2.823975682258606
3793,3914,-1,,,,0.20599392,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Daphnia magna,668392.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Diplostraca'],['Daphniidae'],['Unknown'],['Daphnia'],['Daphnia magna'],2,0,2.823975682258606
3794,3914,-1,,,,0.20599392,ISDB,VOXZDWNPVJITMN-ZBRFXRBCSA-N,"InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,C18H24O2,,272.177630008,VOXZDWNPVJITMN,Terpenoids,Steroids,Estrane steroids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,0,2.823975682258606
3795,3913,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.60510886,ISDB,ROVXFNGQIBRIQW-UHFFFAOYSA-N,"InChI=1S/C13H20O4/c1-8(2)6-9-10(14)7-11(15-3)13(17-5)12(9)16-4/h7-8,14H,6H2,1-5H3",COc1cc(O)c(CC(C)C)c(OC)c1OC,C13H20O4,,240.13615912,ROVXFNGQIBRIQW,Shikimates and Phenylpropanoids,Lignans,,Helichrysum drakensbergense,7601143.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum drakensbergense'],4,0,6.420435428619385
3796,3910,447,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.41545257,ISDB,YPVOPYGJEZCBCH-BFPAISITSA-N,"InChI=1S/C14H18O3/c1-7-4-5-10-11(7)12-9(6-14(10,3)16)8(2)13(15)17-12/h9-10,12,16H,2,4-6H2,1,3H3/t9?,10-,12-,14-/m0/s1",C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H]3[C@@](C)(O)CC12,C14H18O3,,234.125594436,YPVOPYGJEZCBCH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Sonchus macrocarpus,3896829.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus macrocarpus'],4,3,7.161810278892517
3797,3901,-1,,,,0.0,MS1_match,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,pos_2MCa,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
3798,3896,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.28522915,ISDB,ULWMURRUKFUJTH-PFQKTMGTSA-N,"InChI=1S/C26H28O15/c27-6-16-20(33)22(35)23(36)25(40-16)18-15(41-26-24(37)19(32)12(31)7-38-26)5-14-17(21(18)34)11(30)4-13(39-14)8-1-2-9(28)10(29)3-8/h1-5,12,16,19-20,22-29,31-37H,6-7H2/t12-,16+,19-,20+,22-,23+,24+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O15,,580.142820196,ULWMURRUKFUJTH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gypsophila repens,328086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila repens'],6,3,8.640916585922241
3799,3895,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9699852,ISDB,SVJLJQBGUITFLI-UHFFFAOYSA-N,"InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(31)32-25(23-26(29)30)24-28(2,3)4/h25H,5-24H2,1-4H3",CCCCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C27H53NO4,,455.397459176,SVJLJQBGUITFLI,Fatty acids,Fatty esters,Fatty acyl carnitines,Bos taurus,490099.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Artiodactyla'],['Bovidae'],['Unknown'],['Bos'],['Bos taurus'],0,3,5.379940748214722
3800,3894,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38148937,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],1,1,3.025957465171814
3801,3894,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38148937,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],1,1,3.025957465171814
3802,3894,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38148937,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],1,1,3.025957465171814
3803,3894,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38148937,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],1,1,3.025957465171814
3804,3894,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38148937,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],1,1,3.025957465171814
3805,3894,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38148937,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],1,1,3.025957465171814
3806,3893,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7698515,ISDB,JAZBEHYOTPTENJ-JLNKQSITSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C20H30O2,,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Alpinia oxyphylla,144287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia oxyphylla'],4,3,8.579406023025513
3807,3893,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7698515,ISDB,JAZBEHYOTPTENJ-UHFFFAOYSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)",CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O,C20H30O2,,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],4,3,8.579406023025513
3808,3893,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7698515,ISDB,JAZBEHYOTPTENJ-JLNKQSITSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C20H30O2,,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,3,8.579406023025513
3809,3893,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7698515,ISDB,JAZBEHYOTPTENJ-JLNKQSITSA-N,"InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-",CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O,C20H30O2,,302.2245802,JAZBEHYOTPTENJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,3,8.579406023025513
3810,3891,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7339857,ISDB,,,,,,,HEALIQQDEGDSLS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9359428882598877
3811,3889,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3812,3889,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3813,3889,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3814,3889,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3815,3888,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.3076971,ISDB,VMTKGTHHOWQTRO-LLVKDONJSA-N,"InChI=1S/C16H22O/c1-10(2)13-7-6-11(3)14-9-16(17-5)12(4)8-15(13)14/h7-11H,6H2,1-5H3/t11-/m1/s1",COc1cc2c(cc1C)C(C(C)C)=CC[C@H]2C,C16H22O,,230.167065324,VMTKGTHHOWQTRO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lemnalia cervicornis,4713433.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia cervicornis'],2,2,4.230788350105286
3816,3886,-1,,,,0.0,MS1_match,OFNSUWBAQRCHAV-OYQUVCAXSA-N,"InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1,C40H56O3,pos_1_1proton,584.422945652,OFNSUWBAQRCHAV,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3817,3884,-1,,,,0.23004214,ISDB,NYSGGOVWVWBZAA-UHFFFAOYSA-N,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h15-18H,3-14H2,1-2H3",CCCCCCCCCCCCCC=CC=CC(=O)OC,C19H34O2,,294.255880328,NYSGGOVWVWBZAA,Fatty acids,Fatty esters,Wax monoesters,Bonagota salubricola,3055655.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Tortricidae'],['Cochylini'],['Bonagota'],['Bonagota salubricola'],2,0,2.9201685786247253
3818,3883,503,Terpenoids,Steroids,Ergostane steroids,0.69060385,ISDB,,,,,,,CPRUTHPUWILGGA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.7624154090881348
3819,3881,826,,,,0.24538268,ISDB,,,,,,,HUJIDEAKQMIQLN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9815307259559631
3820,3879,-1,,,,0.33432132,ISDB,LFUCRBSGQMAKCO-UHFFFAOYSA-N,"InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)",O=C(O)CNC(=O)Cc1c[nH]c2ccc(O)cc12,C12H12N2O4,,248.079706864,LFUCRBSGQMAKCO,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,0,4.337285280227661
3821,3874,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZUGAHUIFXWRTNA-IQLMWCANSA-N,"InChI=1S/C44H52O24/c1-18-31(54)33(56)35(58)42(62-18)66-38-37(60)41(61-13-12-21-4-9-24(48)27(51)16-21)67-40(39(38)64-29(52)10-5-19-2-7-22(46)25(49)14-19)44(68-43-36(59)34(57)32(55)28(17-45)63-43)65-30(53)11-6-20-3-8-23(47)26(50)15-20/h2-11,14-16,18,28,31-51,54-60H,12-13,17H2,1H3/b10-5+,11-6-/t18-,28-,31-,32-,33+,34+,35+,36-,37+,38+,39-,40-,41-,42-,43+,44+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](OCCc3ccc(O)c(O)c3)O[C@H]([C@H](OC(=O)/C=C\c3ccc(O)c(O)c3)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C44H52O24,pos_3_1proton2sodium,964.2848525440004,ZUGAHUIFXWRTNA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],6,3,7.5
3822,3874,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZUGAHUIFXWRTNA-IQLMWCANSA-N,"InChI=1S/C44H52O24/c1-18-31(54)33(56)35(58)42(62-18)66-38-37(60)41(61-13-12-21-4-9-24(48)27(51)16-21)67-40(39(38)64-29(52)10-5-19-2-7-22(46)25(49)14-19)44(68-43-36(59)34(57)32(55)28(17-45)63-43)65-30(53)11-6-20-3-8-23(47)26(50)15-20/h2-11,14-16,18,28,31-51,54-60H,12-13,17H2,1H3/b10-5+,11-6-/t18-,28-,31-,32-,33+,34+,35+,36-,37+,38+,39-,40-,41-,42-,43+,44+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](OCCc3ccc(O)c(O)c3)O[C@H]([C@H](OC(=O)/C=C\c3ccc(O)c(O)c3)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C44H52O24,pos_3_1proton2sodium,964.2848525440004,ZUGAHUIFXWRTNA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Echinacea angustifolia,618371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea angustifolia'],6,3,7.5
3823,3874,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZUGAHUIFXWRTNA-IQLMWCANSA-N,"InChI=1S/C44H52O24/c1-18-31(54)33(56)35(58)42(62-18)66-38-37(60)41(61-13-12-21-4-9-24(48)27(51)16-21)67-40(39(38)64-29(52)10-5-19-2-7-22(46)25(49)14-19)44(68-43-36(59)34(57)32(55)28(17-45)63-43)65-30(53)11-6-20-3-8-23(47)26(50)15-20/h2-11,14-16,18,28,31-51,54-60H,12-13,17H2,1H3/b10-5+,11-6-/t18-,28-,31-,32-,33+,34+,35+,36-,37+,38+,39-,40-,41-,42-,43+,44+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](OCCc3ccc(O)c(O)c3)O[C@H]([C@H](OC(=O)/C=C\c3ccc(O)c(O)c3)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C44H52O24,pos_3_1proton2sodium,964.2848525440004,ZUGAHUIFXWRTNA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Echinacea pallida,608924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea pallida'],6,3,7.5
3824,3873,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-DTWKUNHWSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1",CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],1,3,3.812873363494873
3825,3873,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],1,3,3.812873363494873
3826,3873,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],1,3,3.812873363494873
3827,3873,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],1,3,3.812873363494873
3828,3873,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Hyacinthoides non-scripta,268365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthoides'],['Hyacinthoides non-scripta'],1,3,3.812873363494873
3829,3871,-1,,,,0.0,MS1_match,LBJIOPYQHNZVLF-VGKHTGITSA-N,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h9,11-19,21-25H,1,3-7H2,2H3/t9-,11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CCC(=C)[C@@H]2C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O8,pos_1_1sodium,410.19406792,LBJIOPYQHNZVLF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
3830,3871,-1,,,,0.0,MS1_match,LBJIOPYQHNZVLF-VGKHTGITSA-N,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h9,11-19,21-25H,1,3-7H2,2H3/t9-,11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CCC(=C)[C@@H]2C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O8,pos_1_1sodium,410.19406792,LBJIOPYQHNZVLF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
3831,3871,-1,,,,0.0,MS1_match,SJDLIJHKRINTTQ-YGFNRWEOSA-N,"InChI=1S/C21H30O8/c1-5-12(9-22)20(27)29-14-8-21(3)15(24)7-6-13(10-23)17(21)18(25)16(14)11(2)19(26)28-4/h5,10,13-18,22,24-25H,2,6-9H2,1,3-4H3/b12-5+/t13-,14-,15+,16+,17+,18-,21-/m0/s1",C=C(C(=O)OC)[C@H]1[C@H](O)[C@H]2[C@H](C=O)CC[C@@H](O)[C@]2(C)C[C@@H]1OC(=O)/C(=C/C)CO,C21H30O8,pos_1_1sodium,410.19406792,SJDLIJHKRINTTQ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,0,7.0
3832,3871,-1,,,,0.0,MS1_match,PUUYULQKNFTVDK-CQCYXHDOSA-N,"InChI=1S/C21H30O8/c1-7-21(5)8-15(29-20(27)12(3)14(24)10-23)16(13(4)19(26)28-6)18(25)17(21)11(2)9-22/h7,14-18,22-25H,1-4,8-10H2,5-6H3/t14-,15-,16+,17+,18-,21+/m0/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO,C21H30O8,pos_1_1sodium,410.19406792,PUUYULQKNFTVDK,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
3833,3871,-1,,,,0.0,MS1_match,PONPZQHPWHPKMF-BHFRCIHZSA-N,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)6-12(15-10(3)20(26)29-19(15)14(8)11)27-21-18(25)17(24)16(23)13(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1CC[C@H]2C(=C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C21H30O8,pos_1_1sodium,410.19406792,PONPZQHPWHPKMF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
3834,3871,-1,,,,0.0,MS1_match,PUUYULQKNFTVDK-XMJNTTDOSA-N,"InChI=1S/C21H30O8/c1-7-21(5)8-15(29-20(27)12(3)14(24)10-23)16(13(4)19(26)28-6)18(25)17(21)11(2)9-22/h7,14-18,22-25H,1-4,8-10H2,5-6H3/t14-,15+,16-,17-,18+,21-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO,C21H30O8,pos_1_1sodium,410.19406792,PUUYULQKNFTVDK,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea attica,391030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea graeca'],7,0,7.0
3835,3866,161,Carbohydrates,Saccharides,Monosaccharides,0.66434234,ISDB,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apis,52851.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Unknown'],4,0,6.657369375228882
3836,3866,161,Carbohydrates,Saccharides,Monosaccharides,0.66434234,ISDB,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apis mellifera,461645.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis mellifera'],4,0,6.657369375228882
3837,3865,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
3838,3865,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
3839,3865,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FNMHEHXNBNCPCI-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3",CC1OC(OC2C(O)C(COC(=O)C=Cc3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,FNMHEHXNBNCPCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
3840,3865,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTOUWTJYUCZJQD-UJERWXFOSA-N,"InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,DTOUWTJYUCZJQD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,3,9.5
3841,3865,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WLWAYPFRKDSFCL-CNMJWYMJSA-N,"InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C31H40O15,pos_1_1proton1ammonium,652.23672058,WLWAYPFRKDSFCL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
3842,3865,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WLWAYPFRKDSFCL-UHFFFAOYSA-N,"InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3",COc1ccc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1O,C31H40O15,pos_1_1proton1ammonium,652.23672058,WLWAYPFRKDSFCL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
3843,3865,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WLWAYPFRKDSFCL-UHFFFAOYSA-N,"InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3",COc1ccc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1O,C31H40O15,pos_1_1proton1ammonium,652.23672058,WLWAYPFRKDSFCL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
3844,3859,-1,,,,0.5238605,ISDB,IYGYMKDQCDOMRE-ZWKOTPCHSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3,C20H17NO6,,367.1055872639999,IYGYMKDQCDOMRE,,,,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,0,4.095442056655884
3845,3858,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1proton1ammonium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
3846,3858,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1proton1ammonium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
3847,3856,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ADFAUEYXQCOXBX-LYYOMZSZSA-N,"InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3/t7-,8-,9+,10-,11+,12-,13-,14-/m1/s1",CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C14H26O10,pos_1_1proton1acetonitrile,354.1525970319999,ADFAUEYXQCOXBX,,,,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
3848,3856,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ADFAUEYXQCOXBX-LYYOMZSZSA-N,"InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3/t7-,8-,9+,10-,11+,12-,13-,14-/m1/s1",CC(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C14H26O10,pos_1_1proton1acetonitrile,354.1525970319999,ADFAUEYXQCOXBX,,,,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
3849,3856,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XZJZTSNVPYIDKK-LHLWPPBNSA-N,"InChI=1S/C20H32O6/c1-11(2)13-9-15-18(4,10-14(13)22)8-7-16(20(15,6)25)26-17(23)19(5,24)12(3)21/h12,15-16,21,24-25H,7-10H2,1-6H3/t12-,15+,16-,18+,19-,20-/m0/s1",CC(C)=C1C[C@@H]2[C@](C)(CC[C@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@@]2(C)O)CC1=O,C20H32O6,pos_2MFe,368.219888744,XZJZTSNVPYIDKK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Pluchea sagittalis,446137.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea sagittalis'],6,2,7.0
3850,3856,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,XZJZTSNVPYIDKK-VBQHFKMZSA-N,"InChI=1S/C20H32O6/c1-11(2)13-9-15-18(4,10-14(13)22)8-7-16(20(15,6)25)26-17(23)19(5,24)12(3)21/h12,15-16,21,24-25H,7-10H2,1-6H3/t12-,15+,16+,18+,19-,20-/m0/s1",CC(C)=C1C[C@@H]2[C@](C)(CC[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@@]2(C)O)CC1=O,C20H32O6,pos_2MFe,368.219888744,XZJZTSNVPYIDKK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Epaltes mexicana,7600890.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Epaltes'],['Epaltes mexicana'],6,2,7.0
3851,3856,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,GLUNGYLSKBAMGR-GXKRZCMTSA-N,"InChI=1S/C23H28O5/c1-12(2)17-10-19(25)13(3)21-20(11-18(14(4)24)22(17)21)28-23(26)15-6-8-16(27-5)9-7-15/h6-9,12,17-18,20,22H,10-11H2,1-5H3/t17-,18+,20-,22+/m0/s1",COc1ccc(C(=O)O[C@H]2C[C@H](C(C)=O)[C@@H]3C2=C(C)C(=O)C[C@H]3C(C)C)cc1,C23H28O5,pos_2MMg,384.193673996,GLUNGYLSKBAMGR,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Ambrosia artemisioides,7051542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Ambrosia'],['Ambrosia artemisioides'],6,2,7.0
3852,3855,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5069473,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.027789115905762
3853,3854,-1,,,,0.0,MS1_match,GUPVCILXGOZKNO-WUTDNEBXSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-11-7-4-5-9-13-20(26-19(3)23)14-10-6-8-12-16-25-18(2)22/h7,11,20H,6,8,10,12,14-16H2,1-3H3/b11-7+/t20-/m1/s1",CC(=O)OC/C=C/C#CC#C[C@H](CCCCCCOC(C)=O)OC(C)=O,C20H26O6,pos_1_1proton1ammonium,362.172938552,GUPVCILXGOZKNO,Fatty acids,Fatty esters,Wax monoesters,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
3854,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HZPDHXFCSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.1729385519999,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
3855,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Cousinia,597720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Unknown'],7,0,7.0
3856,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium,465432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Unknown'],7,0,7.0
3857,3854,-1,,,,0.0,MS1_match,RNNKSBPSDFMQAP-AHBZROHESA-N,"InChI=1S/C20H26O6/c1-11-6-5-7-20(4)18(26-20)17-16(13(3)19(23)25-17)14(8-11)24-15(22)9-12(2)10-21/h6,9,14,16-18,21H,3,5,7-8,10H2,1-2,4H3/b11-6+,12-9+/t14-,16+,17-,18-,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C=C(\C)CO)C/C(C)=C/CC[C@@]1(C)O[C@@H]21,C20H26O6,pos_1_1proton1ammonium,362.172938552,RNNKSBPSDFMQAP,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus coronopifolius,1036517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus coronopifolius'],7,0,7.0
3858,3854,-1,,,,0.0,MS1_match,VSSKJOWJRGBTGI-AAHYQJLRSA-N,"InChI=1S/C20H26O6/c1-12-5-4-6-15(11-22)10-17-18(14(3)20(24)26-17)16(9-12)25-19(23)13(2)7-8-21/h5,7,10,16-18,21-22H,3-4,6,8-9,11H2,1-2H3/b12-5+,13-7-,15-10-/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\CO)[C@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,VSSKJOWJRGBTGI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea glomerata,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,0,7.0
3859,3854,-1,,,,0.0,MS1_match,FSKLYZXJGAAEQB-MGLAFYJRSA-N,"InChI=1S/C20H26O6/c1-9-6-14(25-15(22)8-20(4,5)24)17-11(3)19(23)26-18(17)16-10(2)13(21)7-12(9)16/h12-14,16-18,21,24H,1-3,6-8H2,4-5H3/t12-,13-,14-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)CC(C)(C)O)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,FSKLYZXJGAAEQB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
3860,3854,-1,,,,0.0,MS1_match,ISNCBKDTMCCSDO-XYPKUFGPSA-N,"InChI=1S/C20H26O6/c1-10(2)9-13(21)24-16-14-12(4)19(23)25-17(14)18-20(5,26-18)8-6-7-11(3)15(16)22/h7,9,14-18,22H,4,6,8H2,1-3,5H3/b11-7-/t14-,15-,16-,17+,18-,20-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@H](O)/C(C)=C\CC[C@@]1(C)O[C@H]21,C20H26O6,pos_1_1proton1ammonium,362.172938552,ISNCBKDTMCCSDO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
3861,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
3862,3854,-1,,,,0.0,MS1_match,ASTRIIIPMUNQFB-JMDKQINASA-N,"InChI=1S/C20H26O6/c1-6-8(2)19(23)26-18-13-9(3)7-12(21)14-11(5)20(24)25-17(14)15(13)10(4)16(18)22/h8,12-18,21-22H,3-7H2,1-2H3/t8?,12-,13-,14+,15-,16+,17-,18+/m0/s1",C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)CC)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,ASTRIIIPMUNQFB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
3863,3854,-1,,,,0.0,MS1_match,ASTRIIIPMUNQFB-JMDKQINASA-N,"InChI=1S/C20H26O6/c1-6-8(2)19(23)26-18-13-9(3)7-12(21)14-11(5)20(24)25-17(14)15(13)10(4)16(18)22/h8,12-18,21-22H,3-7H2,1-2H3/t8?,12-,13-,14+,15-,16+,17-,18+/m0/s1",C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)CC)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,ASTRIIIPMUNQFB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
3864,3854,-1,,,,0.0,MS1_match,MYEVWBQFOBSIOC-NGXXMSIOSA-N,"InChI=1S/C20H26O6/c1-4-12(9-21)19(24)25-14-8-20(3)7-5-6-13(10-22)16(20)17-15(14)11(2)18(23)26-17/h4,10,13-17,21H,2,5-9H2,1,3H3/b12-4-/t13-,14-,15+,16?,17-,20+/m0/s1",C=C1C(=O)O[C@@H]2C3[C@H](C=O)CCC[C@]3(C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,MYEVWBQFOBSIOC,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus,70332.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Unknown'],7,0,7.0
3865,3854,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-UQIYLIDBSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9-,15-4+/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea glomerata,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,0,7.0
3866,3854,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-QWDZTYROSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9+,15-4-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,0,7.0
3867,3854,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-MMCOIQDOSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9-,15-4-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
3868,3854,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-USXKLAHMSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9-,15-4+/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus intybaceus,404582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus intybaceus'],7,0,7.0
3869,3854,-1,,,,0.0,MS1_match,DTHPKFOZPQHUHF-MPXQTMFQSA-N,"InChI=1S/C20H26O6/c1-9(8-21)5-16(23)25-15-6-10(2)13-7-14(22)11(3)17(13)19-18(15)12(4)20(24)26-19/h5,12-15,17-19,21-22H,2-3,6-8H2,1,4H3/t12-,13+,14+,15+,17+,18-,19-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](OC(=O)C=C(C)CO)CC(=C)[C@@H]2C[C@@H]1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,DTHPKFOZPQHUHF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
3870,3854,-1,,,,0.0,MS1_match,ASTRIIIPMUNQFB-JMDKQINASA-N,"InChI=1S/C20H26O6/c1-6-8(2)19(23)26-18-13-9(3)7-12(21)14-11(5)20(24)25-17(14)15(13)10(4)16(18)22/h8,12-18,21-22H,3-7H2,1-2H3/t8?,12-,13-,14+,15-,16+,17-,18+/m0/s1",C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)CC)[C@@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,ASTRIIIPMUNQFB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
3871,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,0,7.0
3872,3854,-1,,,,0.0,MS1_match,ISNCBKDTMCCSDO-LHRVHFEYSA-N,"InChI=1S/C20H26O6/c1-10(2)9-13(21)24-16-14-12(4)19(23)25-17(14)18-20(5,26-18)8-6-7-11(3)15(16)22/h7,9,14-18,22H,4,6,8H2,1-3,5H3/b11-7+/t14-,15+,16-,17+,18+,20-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C20H26O6,pos_1_1proton1ammonium,362.172938552,ISNCBKDTMCCSDO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus coronopifolius,1036517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus coronopifolius'],7,0,7.0
3873,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium,465432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Unknown'],7,0,7.0
3874,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,0,7.0
3875,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
3876,3854,-1,,,,0.0,MS1_match,GUPVCILXGOZKNO-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-11-7-4-5-9-13-20(26-19(3)23)14-10-6-8-12-16-25-18(2)22/h7,11,20H,6,8,10,12,14-16H2,1-3H3",CC(=O)OCC=CC#CC#CC(CCCCCCOC(C)=O)OC(C)=O,C20H26O6,pos_1_1proton1ammonium,362.172938552,GUPVCILXGOZKNO,Fatty acids,Fatty esters,Wax monoesters,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
3877,3854,-1,,,,0.0,MS1_match,PXSUBLMVADHFOG-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-12-10-8-6-4-5-7-9-11-13-20(26-19(3)23)14-16-25-18(2)22/h10,12,20H,7,9,11,13-16H2,1-3H3",CC(=O)OCC=CC#CC#CCCCCC(CCOC(C)=O)OC(C)=O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PXSUBLMVADHFOG,Fatty acids,Fatty esters,Wax monoesters,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
3878,3854,-1,,,,0.0,MS1_match,NNBPMFMHJCFBIS-WLEINZGESA-N,"InChI=1S/C20H29NO6/c1-8(2)17(19(24)25)21-7-12-16-14(23)5-9(3)11-6-13(22)10(4)15(11)18(16)27-20(12)26/h8,11-18,21-23H,3-7H2,1-2H3,(H,24,25)/t11-,12-,13-,14-,15-,16+,17-,18+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](CN[C@H](C(=O)O)C(C)C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C20H29NO6,pos_1_1proton,379.199487648,NNBPMFMHJCFBIS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
3879,3854,-1,,,,0.0,MS1_match,PXSUBLMVADHFOG-XETPZZHUSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-12-10-8-6-4-5-7-9-11-13-20(26-19(3)23)14-16-25-18(2)22/h10,12,20H,7,9,11,13-16H2,1-3H3/b12-10+/t20-/m0/s1",CC(=O)OC/C=C/C#CC#CCCCC[C@@H](CCOC(C)=O)OC(C)=O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PXSUBLMVADHFOG,Fatty acids,Fatty esters,Wax monoesters,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
3880,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HZPDHXFCSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.1729385519999,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
3881,3854,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_1_1proton1ammonium,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Cousinia,597720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Unknown'],7,0,7.0
3882,3854,-1,,,,0.0,MS1_match,NTVXUOCTXZYKAY-WNATUMEHSA-N,"InChI=1S/C20H26O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-4-,14-6-,15-9-/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,NTVXUOCTXZYKAY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea moschus,7052153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea moschus'],7,0,7.0
3883,3854,-1,,,,0.0,MS1_match,NTVXUOCTXZYKAY-WNATUMEHSA-N,"InChI=1S/C20H26O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-4-,14-6-,15-9-/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O6,pos_1_1proton1ammonium,362.172938552,NTVXUOCTXZYKAY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinella moschus,519450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinella'],['Jurinella moschus'],7,0,7.0
3884,3852,161,Carbohydrates,Saccharides,Monosaccharides,0.6871405,ISDB,CLRLHXKNIYJWAW-YOQZMRDMSA-N,"InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1",O=C(O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H]([C@H](O)[C@H](O)CO)O1,C9H16O9,,268.079432092,CLRLHXKNIYJWAW,Carbohydrates,Saccharides,Monosaccharides,Oncorhynchus keta,739921.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Salmoniformes'],['Salmonidae'],['Unknown'],['Oncorhynchus'],['Oncorhynchus keta'],2,3,6.2485620975494385
3885,3850,-1,,,,0.6992733,ISDB,WUOGMWBLNQGZRV-ZWKOTPCHSA-N,"InChI=1S/C20H19NO7/c1-21-5-4-10-6-14-15(27-8-26-14)7-12(10)17(21)18(22)11-2-3-13-19(28-9-25-13)16(11)20(23)24/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3,(H,23,24)/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3,C20H19NO7,,385.116151948,WUOGMWBLNQGZRV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis aurea,3944902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis aurea'],4,0,6.797093152999878
3886,3850,-1,,,,0.6992733,ISDB,WUOGMWBLNQGZRV-ZWKOTPCHSA-N,"InChI=1S/C20H19NO7/c1-21-5-4-10-6-14-15(27-8-26-14)7-12(10)17(21)18(22)11-2-3-13-19(28-9-25-13)16(11)20(23)24/h2-3,6-7,17-18,22H,4-5,8-9H2,1H3,(H,23,24)/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@H](O)c1ccc2c(c1C(=O)O)OCO2)OCO3,C20H19NO7,,385.116151948,WUOGMWBLNQGZRV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],4,0,6.797093152999878
3887,3849,287,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AFBUGKSTCXETMA-IHDABQKYSA-N,"InChI=1S/C29H44O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h14-20,22-24,31,33H,7-13H2,1-6H3/t14-,15+,16-,17-,18-,19-,20-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H]5C[C@H](C)[C@@H](C)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H44O7,pos_1_minus1proton1magnesium,504.308703748,AFBUGKSTCXETMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5
3888,3845,-1,,,,0.0,MS1_match,XWGDMVNWFZRSNF-ZCYQVOJMSA-N,"InChI=1S/C26H24O10/c1-33-21-7-14(19-11-18(31)24-17(30)9-16(29)10-20(24)35-19)8-22(34-2)26(21)36-23(12-27)25(32)13-3-5-15(28)6-4-13/h3-11,23,25,27-30,32H,12H2,1-2H3/t23-,25-/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O[C@@H](CO)[C@@H](O)c1ccc(O)cc1,C26H24O10,pos_1_1proton,496.1369469679999,XWGDMVNWFZRSNF,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
3889,3843,1252,Alkaloids,Small peptides,Dipeptides,0.40363762,ISDB,ZERMYLJEHPYWJD-CYBMUJFWSA-N,"InChI=1S/C15H20N4O3/c1-22-12-6-4-10(9-11(12)20)5-7-14(21)18-13-3-2-8-19(13)15(16)17/h4-7,9,13,20H,2-3,8H2,1H3,(H3,16,17)(H,18,21)/t13-/m1/s1",COc1ccc(C=CC(=O)N[C@H]2CCCN2C(=N)N)cc1O,C15H20N4O3,,304.1535405,ZERMYLJEHPYWJD,Alkaloids,,,Solanum cernuum,915428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum cernuum'],8,1,10.114550471305847
3890,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ITENTBHADJNDDH-DJTMHQFBSA-N,"InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1",O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O9,pos_1_1proton1methanol,352.079432092,ITENTBHADJNDDH,Shikimates and Phenylpropanoids,,,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,1,7.5
3891,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,WOUZPLWIQGTNIR-WWTXJPATSA-N,"InChI=1S/C40H42O13/c1-48-32-15-22(5-7-30(32)43)36(45)28(17-41)26-11-20(13-34(50-3)37(26)46)9-24-19-52-40(47)25(24)10-21-12-27-29(18-42)38(53-39(27)35(14-21)51-4)23-6-8-31(44)33(16-23)49-2/h5-8,11-16,24-25,28-29,38,41-44,46H,9-10,17-19H2,1-4H3/t24-,25+,28+,29-,38+/m0/s1",COc1cc(C(=O)[C@H](CO)c2cc(C[C@H]3COC(=O)[C@@H]3Cc3cc(OC)c4c(c3)[C@H](CO)[C@@H](c3ccc(O)c(OC)c3)O4)cc(OC)c2O)ccc1O,C40H42O13,pos_2_1calcium,730.262541404,WOUZPLWIQGTNIR,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,1,7.5
3892,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKUQEFGEUOOPGY-YUZQZYDBSA-N,"InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3/t9-,11+,12+,13-,17+/m1/s1",COc1cc2ccc(=O)oc2c(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H20O10,pos_1_1proton,384.10564684,IKUQEFGEUOOPGY,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia minor,12091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia minor'],6,3,7.5
3893,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKUQEFGEUOOPGY-UHFFFAOYSA-N,"InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3",COc1cc2ccc(=O)oc2c(OC)c1OC1OC(CO)C(O)C(O)C1O,C17H20O10,pos_1_1proton,384.1056468399999,IKUQEFGEUOOPGY,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ajania przewalskii,483948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum przewalskii'],6,3,7.5
3894,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKUQEFGEUOOPGY-YUZQZYDBSA-N,"InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3/t9-,11+,12+,13-,17+/m1/s1",COc1cc2ccc(=O)oc2c(OC)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C17H20O10,pos_1_1proton,384.10564684,IKUQEFGEUOOPGY,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia minor,12091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia minor'],6,3,7.5
3895,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,IKUQEFGEUOOPGY-UHFFFAOYSA-N,"InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(24-2)15(8)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3",COc1cc2ccc(=O)oc2c(OC)c1OC1OC(CO)C(O)C(O)C1O,C17H20O10,pos_1_1proton,384.1056468399999,IKUQEFGEUOOPGY,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ajania przewalskii,483948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum przewalskii'],6,3,7.5
3896,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,VVZGWJFMILUWOO-HFVZKWEFSA-N,"InChI=1S/C17H20O10/c1-23-9-5-8-7(3-4-11(19)25-8)15(24-2)16(9)27-17-14(22)13(21)12(20)10(6-18)26-17/h3-5,10,12-14,17-18,20-22H,6H2,1-2H3/t10-,12-,13+,14-,17+/m1/s1",COc1cc2oc(=O)ccc2c(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H20O10,pos_1_1proton,384.1056468399999,VVZGWJFMILUWOO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia minor,12091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia minor'],6,3,7.5
3897,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,MLOMRDQPPYHSAX-UHFFFAOYSA-N,"InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(15(8)24-2)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3",COc1cc2ccc(=O)oc2c(OC2OC(CO)C(O)C(O)C2O)c1OC,C17H20O10,pos_1_1proton,384.10564684,MLOMRDQPPYHSAX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia minor,12091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia minor'],6,3,7.5
3898,3841,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,MLOMRDQPPYHSAX-UHFFFAOYSA-N,"InChI=1S/C17H20O10/c1-23-8-5-7-3-4-10(19)26-14(7)16(15(8)24-2)27-17-13(22)12(21)11(20)9(6-18)25-17/h3-5,9,11-13,17-18,20-22H,6H2,1-2H3",COc1cc2ccc(=O)oc2c(OC2OC(CO)C(O)C(O)C2O)c1OC,C17H20O10,pos_1_1proton,384.10564684,MLOMRDQPPYHSAX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia minor,12091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia minor'],6,3,7.5
3899,3838,-1,,,,0.0,MS1_match,IBYXDWNHLOGYIN-OSVRZWSTSA-N,"InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C27H36O4,pos_1_1sodium,424.261359632,IBYXDWNHLOGYIN,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0
3900,3832,-1,,,,0.65284693,ISDB,CTULHRFLFQFJDU-ZZLHTRIOSA-N,"InChI=1S/C20H30O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h10,14-16,21H,4-9,11-12H2,1-3H3/t14-,15+,16-,18-,19+,20+/m1/s1",CC1=C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(CO)[C@H]1CC3=O,C20H30O2,,302.2245802,CTULHRFLFQFJDU,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Sideritis syriaca,290040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis syriaca'],5,0,7.611387729644775
3901,3831,52,Terpenoids,Meroterpenoids,Tetraketide meroterpenoids,0.0,MS1_match,CJHDBEPXEKGBDW-UHFFFAOYSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)",NCCCCNC(=O)C=Cc1ccc(O)cc1,C13H18N2O2,pos_2MH,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
3902,3829,521,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,0.54794616,ISDB,OKVCTOBWIAGOMR-ACCUITESSA-N,"InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)11-13-18(21)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,11-15,22H,5-6,9-10H2,1H3/b13-11+",COc1cc(/C=C/C(=O)CCCCc2ccccc2)ccc1O,C20H22O3,,310.156894564,OKVCTOBWIAGOMR,Shikimates and Phenylpropanoids,Diarylheptanoids,Linear diarylheptanoids,Alpinia oxyphylla,144287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Alpinia'],['Alpinia oxyphylla'],1,3,4.691784620285034
3903,3827,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.28608477,ISDB,VMTKGTHHOWQTRO-LLVKDONJSA-N,"InChI=1S/C16H22O/c1-10(2)13-7-6-11(3)14-9-16(17-5)12(4)8-15(13)14/h7-11H,6H2,1-5H3/t11-/m1/s1",COc1cc2c(cc1C)C(C(C)C)=CC[C@H]2C,C16H22O,,230.167065324,VMTKGTHHOWQTRO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lemnalia cervicornis,4713433.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia cervicornis'],2,2,4.144339084625244
3904,3825,31,Terpenoids,Diterpenoids,Labdane diterpenoids,0.38778505,ISDB,WUALPRBWJZSIGL-HNJSAKBSSA-N,"InChI=1S/C22H38O4/c1-15(23)25-14-18(24)22(6)13-9-17-20(4)11-7-10-19(2,3)16(20)8-12-21(17,5)26-22/h16-18,24H,7-14H2,1-6H3/t16-,17+,18-,20-,21+,22-/m0/s1",CC(=O)OC[C@H](O)[C@]1(C)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O1,C22H38O4,,366.277009696,WUALPRBWJZSIGL,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia tarapacana,178346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia tarapacana'],6,3,9.051140189170837
3905,3822,-1,,,,0.33561403,ISDB,MJWCLSBMPLOHJT-BHRXFIPESA-N,"InChI=1S/C27H40O5/c1-16-26(12-11-23(2,15-28)32-26)31-22-14-21-19-6-5-17-13-18(29)7-9-24(17,3)20(19)8-10-25(21,4)27(16,22)30/h13,16,19-22,28,30H,5-12,14-15H2,1-4H3/t16-,19-,20+,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1[C@@]2(CC[C@@](C)(CO)O2)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@]21O,C27H40O5,,444.28757438,MJWCLSBMPLOHJT,Terpenoids,Steroids,Furostane steroids,Dioscorea bulbifera,856715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea bulbifera'],4,0,5.342456102371216
3906,3817,-1,,,,0.66677374,ISDB,,,,,,,ZMJBQCHPZICNBV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6670949459075928
3907,3813,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ammonium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,0,6.0
3908,3813,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ammonium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
3909,3813,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ammonium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon albidus,34986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albidus'],6,0,6.0
3910,3813,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ammonium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,0,6.0
3911,3813,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ammonium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
3912,3813,-1,,,,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ammonium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon albidus,34986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albidus'],6,0,6.0
3913,3813,-1,,,,0.0,MS1_match,OOJZWXCTDBXCJY-DAFIZWGFSA-N,"InChI=1S/C15H24O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h3,7-21H,1-2,4-5H2/t7-,8-,9+,10+,11-,12-,13+,14-,15+/m0/s1",OCC1=C[C@H](O)[C@@H]2CCO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O9,pos_1_1proton1ammonium,348.142032348,OOJZWXCTDBXCJY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago subulata,185894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago subulata'],6,0,6.0
3914,3813,-1,,,,0.0,MS1_match,PVNCIZYCWIYOJP-DOPINODRSA-N,"InChI=1S/C15H24O9/c1-5-8-6(10(18)9(5)17)2-3-22-14(8)24-15-13(21)12(20)11(19)7(4-16)23-15/h2-3,5-21H,4H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12-,13+,14-,15-/m0/s1",C[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O9,pos_1_1proton1ammonium,348.142032348,PVNCIZYCWIYOJP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
3915,3813,-1,,,,0.0,MS1_match,SVKAKAGCTFQHGA-HXHBHVAVSA-N,"InChI=1S/C15H24O9/c1-15(21)8(17)4-6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)7(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8-,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@@]1(O)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2C[C@@H]1O,C15H24O9,pos_1_1proton1ammonium,348.142032348,SVKAKAGCTFQHGA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
3916,3810,290,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.22951145,ISDB,NYGZYUAVZPIKBZ-ZBEGNZNMSA-N,"InChI=1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1",COc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21,C16H14O5,,286.084123548,NYGZYUAVZPIKBZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Megaselia flavescens,4346252.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Phoridae'],['Megaseliini'],['Megaselia'],['Megaselia flavescens'],4,3,6.418045818805695
3917,3806,-1,,,,0.4382075,ISDB,WTPCVDMJSKOJKE-VXJMVHJBSA-N,"InChI=1S/C26H36O8/c1-13-6-7-17-24(3,4)18(28)8-9-25(17,5)16(13)11-26-19(29)10-15(21(31)22(26)34-26)12-33-23(32)20(30)14(2)27/h10,14,16-18,20,22,27-28,30H,1,6-9,11-12H2,2-5H3/t14-,16-,17-,18+,20+,22-,25+,26+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1C[C@]12O[C@H]1C(=O)C(COC(=O)[C@H](O)[C@H](C)O)=CC2=O,C26H36O8,,476.241018112,WTPCVDMJSKOJKE,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Trichoderma,891848.0,['Eukaryota'],['Metazoa'],['Chordata'],['Actinopteri'],['Acanthomorphata'],['Monacanthidae'],['Unknown'],['Amanses'],['Unknown'],2,0,3.7528300285339355
3918,3804,-1,,,,0.0,MS1_match,ZTVSGQPHMUYCRS-SWLSCSKDSA-N,"InChI=1S/C15H18O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h8,12H,1,4-7H2,2-3H3/t12-,15+/m0/s1",C=C1CCC[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12,C15H18O2,pos_1_1proton1isopropanol,230.130679816,ZTVSGQPHMUYCRS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0
3919,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,3,7.5
3920,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,3,7.5
3921,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-PHXIFTSBSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14-,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon gentianoides,505859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon gentianoides'],6,3,7.5
3922,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon linarioides,998381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon linarioides'],6,3,7.5
3923,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon roseus,7053913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon roseus'],6,3,7.5
3924,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,3,7.5
3925,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,3,7.5
3926,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,3,7.5
3927,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon whippleanus,23649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon whippleanus'],6,3,7.5
3928,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon rydbergii,673713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon rydbergii'],6,3,7.5
3929,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barbatus,899968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barbatus'],6,3,7.5
3930,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,3,7.5
3931,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,3,7.5
3932,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago indica,217276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago indica'],6,3,7.5
3933,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago psyllium,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,3,7.5
3934,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago afra,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,3,7.5
3935,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,3,7.5
3936,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,3,7.5
3937,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago sempervirens,811311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago sempervirens'],6,3,7.5
3938,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon parryi,465960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon parryi'],6,3,7.5
3939,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barrettiae,543219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barrettiae'],6,3,7.5
3940,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,3,7.5
3941,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,3,7.5
3942,3801,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OQQDSUSKGYTVLM-BTANCPAZSA-N,"InChI=1S/C16H24O9/c1-6-2-9(18)11-7(6)4-23-5-8(11)15(22)25-16-14(21)13(20)12(19)10(3-17)24-16/h5-7,9-14,16-21H,2-4H2,1H3/t6-,7-,9-,10-,11+,12-,13+,14-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2C(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=COC[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,OQQDSUSKGYTVLM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,3,7.5
3943,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,3,8.5
3944,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aegialophila,914194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aegialophila'],7,3,8.5
3945,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
3946,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,3,8.5
3947,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea castellana,609895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea castellana'],7,3,8.5
3948,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,3,8.5
3949,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,3,8.5
3950,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,3,8.5
3951,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,3,8.5
3952,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,3,8.5
3953,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cuneifolia,992160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cuneifolia'],7,3,8.5
3954,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,3,8.5
3955,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,SNNGLDULRXQHKQ-JSXSYOHWSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,9-13,17H,1-2,6H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)C=O,C15H20O4,pos_1_1sodium,264.13615912,SNNGLDULRXQHKQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,3,8.5
3956,3799,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1sodium,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum corymbosum,5144245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum corymbosum'],7,3,8.5
3957,3797,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
3958,3792,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,BUYVRDKTUIDPKL-JJWFNQQGSA-N,"InChI=1S/C25H26O14/c26-11-3-1-10(2-4-11)23-17(7-13-14(28)5-12(27)6-16(13)37-23)38-25-22(34)21(33)20(32)18(39-25)9-36-24(35)15(29)8-19(30)31/h1-6,15,18,20-22,25-29,32-34H,7-9H2,(H,30,31)/t15-,18-,20-,21+,22-,25-/m0/s1",O=C(O)C[C@H](O)C(=O)OC[C@@H]1O[C@H](OC2=C(c3ccc(O)cc3)Oc3cc(O)cc(O)c3C2)[C@@H](O)[C@H](O)[C@H]1O,C25H26O14,pos_1_1proton,550.132255512,BUYVRDKTUIDPKL,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Dianthus caryophyllus,842200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus caryophyllus'],6,2,7.0
3959,3791,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.81955785,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,1,7.778231382369995
3960,3789,-1,,,,0.0,MS1_match,DYENWMUXSKPFLC-KBEVHYEMSA-N,"InChI=1S/C29H50O4/c1-7-19(16(2)3)27(33)26(32)17(4)21-8-9-22-20-15-25(31)24-14-18(30)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-24,26-27,30,32-33H,7-15H2,1-6H3/t17-,18-,19-,20-,21+,22-,23-,24+,26+,27+,28+,29+/m0/s1",CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C29H50O4,pos_1_1proton1ethylamine,462.37091007999993,DYENWMUXSKPFLC,Terpenoids,Steroids,Cholestane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
3961,3787,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.24718702,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,1,5.488748073577881
3962,3783,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_2_2proton,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
3963,3783,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_2_2proton,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
3964,3783,-1,,,,0.0,MS1_match,YNMFDPCLPIMRFD-ZEZWPBFOSA-N,"InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15-,17+,18-,20+,21-,22-,25+,26+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C26H28O16,pos_2_2proton,596.137734816,YNMFDPCLPIMRFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
3965,3782,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NPIUAXNFAUGNHP-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3",CCOC(=O)c1cc2cc(OC)ccc2[nH]1,C12H13NO3,pos_1_1proton1ammonium,219.089543276,NPIUAXNFAUGNHP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
3966,3782,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,YEBJVSLNUMZXRJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)",COc1ccc2[nH]c(C(=O)O)cc2c1,C10H9NO3,pos_1_1proton1ethylamine,191.058243148,YEBJVSLNUMZXRJ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
3967,3782,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,TXWGINUZLBAKDF-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",COc1ccc2[nH]c(C)c(CC(=O)O)c2c1,C12H13NO3,pos_1_1proton1ammonium,219.089543276,TXWGINUZLBAKDF,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
3968,3782,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,YHKXBTJWCNPFQV-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-16-12(15)11(14)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3",COC(=O)C(O)Cc1c[nH]c2ccccc12,C12H13NO3,pos_1_1proton1ammonium,219.089543276,YHKXBTJWCNPFQV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
3969,3781,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-DTWKUNHWSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1",CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],1,3,3.812873363494873
3970,3781,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],1,3,3.812873363494873
3971,3781,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],1,3,3.812873363494873
3972,3781,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],1,3,3.812873363494873
3973,3781,316,Amino acids and Peptides,Small peptides,Dipeptides,0.32821834,ISDB,XCTHZFGSVQBHBW-IUCAKERBSA-N,"InChI=1S/C11H22N2O3/c1-6(2)5-8(11(15)16)13-10(14)9(12)7(3)4/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)O,C11H22N2O3,,230.163042564,XCTHZFGSVQBHBW,Amino acids and Peptides,Small peptides,Dipeptides,Hyacinthoides non-scripta,268365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Hyacinthaceae'],['Hyacintheae'],['Hyacinthoides'],['Hyacinthoides non-scripta'],1,3,3.812873363494873
3974,3780,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1acetonitrile,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
3975,3780,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1acetonitrile,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
3976,3779,-1,,,,0.3893538,ISDB,JNIVOKDEGVTPPC-ZQNQSHIBSA-N,"InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1[C@H](O)C[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]12,C15H24O2,,236.177630008,JNIVOKDEGVTPPC,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.557415246963501
3977,3778,-1,,,,0.0,MS1_match,DJFCONHTXULHOP-GJSPGKQCSA-N,"InChI=1S/C24H34O10/c1-14(8-10-25)4-3-5-15(2)23(31)33-13-19-20(28)21(29)22(30)24(34-19)32-11-9-16-6-7-17(26)18(27)12-16/h5-8,12,19-22,24-30H,3-4,9-11,13H2,1-2H3/b14-8+,15-5+/t19-,20-,21+,22-,24-/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H34O10,pos_1_1proton,482.215197288,DJFCONHTXULHOP,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
3978,3776,-1,,,,0.20571989,ISDB,,,,,,,YGBTZLLCHJLFFA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8228795528411865
3979,3774,-1,,,,0.6591097,ISDB,VTMACKLIDOUCGC-MKICQXMISA-N,"InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)26(14-4-3-13-25)24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14,25H2,1-2H3/b11-7+,12-8+",COc1cc(/C=C/C(=O)N(CCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C24H28N2O6,,440.194736616,VTMACKLIDOUCGC,Alkaloids,Ornithine alkaloids,Polyamines,Dracunculus vulgaris,1025064.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Areae'],['Dracunculus'],['Dracunculus vulgaris'],4,0,6.636438846588135
3980,3774,-1,,,,0.6591097,ISDB,VTMACKLIDOUCGC-MKICQXMISA-N,"InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)26(14-4-3-13-25)24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14,25H2,1-2H3/b11-7+,12-8+",COc1cc(/C=C/C(=O)N(CCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C24H28N2O6,,440.194736616,VTMACKLIDOUCGC,Alkaloids,Ornithine alkaloids,Polyamines,Arum italicum,17921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Areae'],['Arum'],['Arum italicum'],4,0,6.636438846588135
3981,3774,-1,,,,0.6591097,ISDB,VTMACKLIDOUCGC-MKICQXMISA-N,"InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)26(14-4-3-13-25)24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14,25H2,1-2H3/b11-7+,12-8+",COc1cc(/C=C/C(=O)N(CCCCN)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O,C24H28N2O6,,440.194736616,VTMACKLIDOUCGC,Alkaloids,Ornithine alkaloids,Polyamines,Remusatia vivipara,1023103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Alismatales'],['Araceae'],['Colocasieae'],['Remusatia'],['Remusatia vivipara'],4,0,6.636438846588135
3982,3772,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7608242,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,13.043296813964844
3983,3770,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.36857352,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],1,1,2.974294066429138
3984,3770,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.36857352,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],1,1,2.974294066429138
3985,3770,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.36857352,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],1,1,2.974294066429138
3986,3770,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.36857352,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],1,1,2.974294066429138
3987,3770,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.36857352,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],1,1,2.974294066429138
3988,3770,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.36857352,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],1,1,2.974294066429138
3989,3769,590,Amino acids and Peptides,Small peptides,Aminoacids,0.27252954,ISDB,UBUUPWLVDKDQNO-ZKWXMUAHSA-N,"InChI=1S/C10H16N2O5/c1-5-2-3-17-9(5)12-8(14)7(13)4-6(11)10(15)16/h2,6-7,9,13H,3-4,11H2,1H3,(H,12,14)(H,15,16)/t6-,7-,9-/m0/s1",CC1=CCO[C@@H]1NC(=O)[C@@H](O)C[C@H](N)C(=O)O,C10H16N2O5,,244.105921612,UBUUPWLVDKDQNO,Amino acids and Peptides,Small peptides,Aminoacids,Hemerocallis fulva,62294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Hemerocallis'],['Hemerocallis fulva'],4,3,6.590118169784546
3990,3769,590,Amino acids and Peptides,Small peptides,Aminoacids,0.27252954,ISDB,UBUUPWLVDKDQNO-LKEWCRSYSA-N,"InChI=1S/C10H16N2O5/c1-5-2-3-17-9(5)12-8(14)7(13)4-6(11)10(15)16/h2,6-7,9,13H,3-4,11H2,1H3,(H,12,14)(H,15,16)/t6-,7+,9+/m0/s1",CC1=CCO[C@H]1NC(=O)[C@H](O)C[C@H](N)C(=O)O,C10H16N2O5,,244.105921612,UBUUPWLVDKDQNO,Amino acids and Peptides,Small peptides,Aminoacids,Hemerocallis fulva var. angustifolia,1067147.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Hemerocallis'],['Hemerocallis fulva'],4,3,6.590118169784546
3991,3768,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.64600694,ISDB,YNNQTVPKSXTDCK-SABUVIKOSA-N,"InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,13-14,17-18,20H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t17-,18+/m0/s1",CC/C=C\C/C=C\C/C=C\C/C=C\CC[C@@H](O)[C@H](C)N,C18H31NO,,277.240564612,YNNQTVPKSXTDCK,Fatty acids,Sphingolipids,Sphingoid bases,Pseudodistoma obscurum,3644423.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Pseudodistoma obscurum'],0,1,3.0840277671813965
3992,3767,-1,,,,0.0,MS1_match,SFCRZVSQIVWLKR-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3",CCCCC(C)CCOC(C)=O,C10H20O2,pos_1_1proton2acetonitrile,172.14632988,SFCRZVSQIVWLKR,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3993,3767,-1,,,,0.0,MS1_match,OAOABCKPVCUNKO-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",CC(C)CCCCCCC(=O)O,C10H20O2,pos_1_1proton2acetonitrile,172.14632988,OAOABCKPVCUNKO,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
3994,3767,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_1_1proton2acetonitrile,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
3995,3767,-1,,,,0.0,MS1_match,YYZUSRORWSJGET-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3",CCCCCCCC(=O)OCC,C10H20O2,pos_1_1proton2acetonitrile,172.14632988,YYZUSRORWSJGET,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
3996,3766,161,Carbohydrates,Saccharides,Monosaccharides,0.6854527,ISDB,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apis mellifera,461645.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis mellifera'],4,0,6.7418107986450195
3997,3766,161,Carbohydrates,Saccharides,Monosaccharides,0.6854527,ISDB,IRZVHDLBAYNPCT-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3",COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C16H12O4,,268.073558864,IRZVHDLBAYNPCT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Apis,52851.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Unknown'],4,0,6.7418107986450195
3998,3762,524,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.41382915,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,10.155316591262817
3999,3761,477,,,,0.36644745,ISDB,,,,,,,MHFRGQHAERHWKZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.465789794921875
4000,3760,28,Shikimates and Phenylpropanoids,Cyclic polyketides,Furans,0.35814884,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.932595372200012
4001,3745,-1,,,,0.0,MS1_match,OSXQLEITCURIQP-DKNJKJPPSA-N,"InChI=1S/C22H36O4/c1-14(23)26-13-19(2)7-5-8-20(3)17(19)6-9-22-11-15(21(4,25)12-22)10-16(24)18(20)22/h15-18,24-25H,5-13H2,1-4H3/t15-,16+,17-,18+,19-,20-,21?,22+/m1/s1",CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@H]12)C(C)(O)C3,C22H36O4,pos_2MFe,364.261359632,OSXQLEITCURIQP,Terpenoids,Diterpenoids,Atisane diterpenoids,Croton kongensis,900873.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton kongensis'],6,0,6.0
4002,3745,-1,,,,0.0,MS1_match,COFSRJDBTTZNBZ-YBODUADKSA-N,"InChI=1S/C22H36O4/c1-8-14(2)10-11-16-21(6)13-9-12-20(4,5)18(21)17(26-15(3)23)19(24)22(16,7)25/h8,10,16-19,24-25H,1,9,11-13H2,2-7H3/b14-10+/t16-,17-,18+,19+,21-,22+/m0/s1",C=C/C(C)=C/C[C@@H]1[C@@](C)(O)[C@H](O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C,C22H36O4,pos_2MFe,364.261359632,COFSRJDBTTZNBZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Croton glabellus,464511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton glabellus'],6,0,6.0
4003,3743,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.47690168,ISDB,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.907606720924377
4004,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
4005,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
4006,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.152597032,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
4007,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.152597032,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
4008,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
4009,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
4010,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
4011,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
4012,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
4013,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.152597032,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
4014,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-UHFFFAOYSA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1CCC2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.152597032,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
4015,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
4016,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
4017,3739,190,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,0.0,MS1_match,XBGJTRDIWPEIMG-DUMNYRKASA-N,"InChI=1S/C17H26O10/c1-17(23)4-3-7-8(14(22)24-2)6-25-15(10(7)17)27-16-13(21)12(20)11(19)9(5-18)26-16/h6-7,9-13,15-16,18-21,23H,3-5H2,1-2H3/t7-,9-,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O,C17H26O10,pos_1_1proton1ethylamine,390.1525970319999,XBGJTRDIWPEIMG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
4018,3738,-1,,,,0.25425506,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],7,0,8.017020225524902
4019,3738,-1,,,,0.25425506,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Saussurea hieracioides,40090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea hieracioides'],7,0,8.017020225524902
4020,3738,-1,,,,0.25425506,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Centaurea ptosimopappoides,49199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ptosimopappoides'],7,0,8.017020225524902
4021,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
4022,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-YIYJKGBESA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
4023,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
4024,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,8.5
4025,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-UHFFFAOYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3",C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
4026,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
4027,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
4028,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-YIYJKGBESA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
4029,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ammonium,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,8.5
4030,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HGFWSEPBYRBDOL-JVEAFJHYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-10,12-19,21-22,24-26H,1,4-6H2,2-3H3/t8-,9+,10+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,HGFWSEPBYRBDOL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
4031,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
4032,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
4033,3736,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FPYNOEOJFQHIMK-UHFFFAOYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3",C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C21H30O9,pos_1_1proton1ammonium,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
4034,3734,-1,,,,0.61080515,ISDB,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Sargentodoxa cuneata,639710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Lardizabalaceae'],['Unknown'],['Sargentodoxa'],['Sargentodoxa cuneata'],5,0,7.443220615386963
4035,3734,-1,,,,0.61080515,ISDB,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Aconitum napellus,586780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Aconitum'],['Aconitum napellus'],5,0,7.443220615386963
4036,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Sterculia tragacantha,770769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia tragacantha'],6,0,6.0
4037,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0
4038,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,0,6.0
4039,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,0,6.0
4040,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,0,6.0
4041,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
4042,3731,-1,,,,0.0,MS1_match,KCDSGKHMSVPTOK-UHFFFAOYSA-N,"InChI=1S/C8H16O/c1-3-5-7-8(9)6-4-2/h3,5,8-9H,4,6-7H2,1-2H3",CC=CCC(O)CCC,C8H16O,pos_2MHCH3CN,128.120115132,KCDSGKHMSVPTOK,Fatty acids,Fatty acyls,Fatty alcohols,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
4043,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Gossypium barbadense,854476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium barbadense'],6,0,6.0
4044,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Eriolaena hookeriana,6116057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Eriolaena'],['Eriolaena hookeriana'],6,0,6.0
4045,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
4046,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,0,6.0
4047,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Abutilon ramosum,5762315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abutilon'],['Abutilon ramosum'],6,0,6.0
4048,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Firmiana pallens,6118805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana pallens'],6,0,6.0
4049,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Sterculia foetida,298691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia foetida'],6,0,6.0
4050,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Abelmoschus esculentus,514975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abelmoschus'],['Abelmoschus esculentus'],6,0,6.0
4051,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Urena lobata,485925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Urena'],['Urena lobata'],6,0,6.0
4052,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0
4053,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Sterculia tomentosa,283034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana simplex'],6,0,6.0
4054,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,0,6.0
4055,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Sterculia tragacantha,770769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia tragacantha'],6,0,6.0
4056,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea broussonetiifolia,6117054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea broussonetiifolia'],6,0,6.0
4057,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea armeniaca,447106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea armeniaca'],6,0,6.0
4058,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],6,0,6.0
4059,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,0,6.0
4060,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Gossypium barbadense,854476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium barbadense'],6,0,6.0
4061,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,0,6.0
4062,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Abutilon ramosum,5762315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abutilon'],['Abutilon ramosum'],6,0,6.0
4063,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Firmiana pallens,6118805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana pallens'],6,0,6.0
4064,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,0,6.0
4065,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus,83402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Unknown'],6,0,6.0
4066,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,0,6.0
4067,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Abelmoschus esculentus,514975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abelmoschus'],['Abelmoschus esculentus'],6,0,6.0
4068,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malvaviscus arboreus,108599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malvaviscus'],['Malvaviscus arboreus'],6,0,6.0
4069,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Sterculia tomentosa,283034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana simplex'],6,0,6.0
4070,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Sterculia setigera,3942879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia setigera'],6,0,6.0
4071,3731,-1,,,,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Corchorus aestuans,615658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus aestuans'],6,0,6.0
4072,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Sterculia setigera,3942879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia setigera'],6,0,6.0
4073,3731,-1,,,,0.0,MS1_match,MMQWFMBMXXWRKD-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h8H,2-7H2,1H3",CCCCCCCC=C=O,C9H16O,pos_2MHNH3,140.120115132,MMQWFMBMXXWRKD,Fatty acids,Fatty acyls,Hydrocarbons,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
4074,3731,-1,,,,0.0,MS1_match,HPSSZFFAYWBIPY-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h2-15H2,1H3,(H,19,20)",CCCCCCCCC1=C(CCCCCCC(=O)O)C1,C18H32O2,pos_1_1proton1ammonium,280.240230264,HPSSZFFAYWBIPY,Fatty acids,Fatty Acids and Conjugates,Carbocyclic fatty acids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,0,6.0
4075,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
4076,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0
4077,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0
4078,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,0,6.0
4079,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-IXWMQOLASA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+",CCCCC/C=C\C/C=C/CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Durio zibethinus,236622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Durio'],['Durio zibethinus'],6,0,6.0
4080,3731,-1,,,,0.0,MS1_match,BSAIUMLZVGUGKX-UHFFFAOYSA-N,"InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3",CCCCCCC=CC=O,C9H16O,pos_2MHNH3,140.120115132,BSAIUMLZVGUGKX,Fatty acids,Fatty acyls,Fatty aldehydes,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
4081,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Sterculia setigera,3942879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia setigera'],6,0,6.0
4082,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Sterculia tomentosa,283034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana simplex'],6,0,6.0
4083,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-AVQMFFATSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+",CCCCC/C=C/C/C=C/CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Abelmoschus esculentus,514975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abelmoschus'],['Abelmoschus esculentus'],6,0,6.0
4084,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,0,6.0
4085,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,0,6.0
4086,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Sterculia tragacantha,770769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia tragacantha'],6,0,6.0
4087,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Sterculia foetida,298691.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia foetida'],6,0,6.0
4088,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Firmiana pallens,6118805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana pallens'],6,0,6.0
4089,3731,-1,,,,0.0,MS1_match,ADHNUPOJJCKWRT-JLXBFWJWSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+",CCCCCCCCCCCCC/C=C/C=C/C(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,ADHNUPOJJCKWRT,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,0,6.0
4090,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Althaea broussonetiifolia,6117054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea broussonetiifolia'],6,0,6.0
4091,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Althaea armeniaca,447106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea armeniaca'],6,0,6.0
4092,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Gossypium barbadense,854476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium barbadense'],6,0,6.0
4093,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],6,0,6.0
4094,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Abutilon ramosum,5762315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abutilon'],['Abutilon ramosum'],6,0,6.0
4095,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,0,6.0
4096,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,0,6.0
4097,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,0,6.0
4098,3731,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Theobroma cacao,388185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Theobroma'],['Theobroma cacao'],6,0,6.0
4099,3730,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4541484,ISDB,YIOUPFBHICGXGU-VLXASLQNSA-N,"InChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-13-17-14-15-18(20-4)16(2)19(17)3/h8-13,16-18H,5-7,14-15H2,1-4H3/b9-8+,11-10+,13-12+/t16-,17+,18-/m1/s1",CCCC/C=C/C=C/C=C/[C@H]1CC[C@@H](OC)[C@@H](C)N1C,C18H31NO,,277.240564612,YIOUPFBHICGXGU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],6,0,7.816593647003174
4100,3729,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton1isopropanol,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
4101,3729,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton1isopropanol,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
4102,3727,-1,,,,0.29234603,ISDB,DJMIFDZBCUUQJN-GDVGLLTNSA-N,"InChI=1S/C7H13NO3/c1-8(2)4-3-5(9)6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5?,6-/m0/s1",C[N+]1(C)CCC(O)[C@H]1C(=O)[O-],C7H13NO3,,159.089543276,DJMIFDZBCUUQJN,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Dolichandra unguis-cati,1001573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Bignonieae'],['Dolichandra'],['Dolichandra unguis-cati'],5,0,6.169384121894836
4103,3723,-1,,,,0.0,MS1_match,WKITYCPAMPCPHX-JIZZNJBTSA-N,"InChI=1S/C27H50O11/c1-3-4-9-12-16(2)13-10-7-5-6-8-11-14-18(29)37-25-22(33)20(31)21(32)23(34)26(25)38-27-24(35)19(30)17(28)15-36-27/h16-17,19-28,30-35H,3-15H2,1-2H3/t16-,17-,19+,20+,21-,22+,23-,24-,25-,26-,27+/m1/s1",CCCCC[C@@H](C)CCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C27H50O11,pos_1_1potassium,550.33531242,WKITYCPAMPCPHX,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0
4104,3723,-1,,,,0.0,MS1_match,JCSVZMVKNJKNIY-SCQZLMBZSA-N,"InChI=1S/C27H50O11/c1-16(2)13-11-9-7-5-3-4-6-8-10-12-14-18(29)37-25-22(33)20(31)21(32)23(34)26(25)38-27-24(35)19(30)17(28)15-36-27/h16-17,19-28,30-35H,3-15H2,1-2H3/t17-,19+,20+,21-,22+,23-,24-,25-,26-,27+/m1/s1",CC(C)CCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C27H50O11,pos_1_1potassium,550.33531242,JCSVZMVKNJKNIY,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0
4105,3717,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6656708,ISDB,YJFOZRTWRVNHOG-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h4,6-8,10H,5H2,1-3H3",Cc1ccc(C)c2c1C=CCC2C,C13H16,,172.125200512,YJFOZRTWRVNHOG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],1,1,4.1626832485198975
4106,3716,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.61168534,ISDB,,,,,,,JLXFCRGBJHNVNU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4467413425445557
4107,3714,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton2acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,1,8.5
4108,3714,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton2acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,1,8.5
4109,3713,50,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.35061502,ISDB,,,,,,,IQOSMPPPZDUYCT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4024600982666016
4110,3711,-1,,,,0.0,MS1_match,WTTJVINHCBCLGX-NQLNTKRDSA-N,"InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC,C19H34O2,pos_1_1proton1acetonitrile,294.255880328,WTTJVINHCBCLGX,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4111,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,0,9.782861232757568
4112,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,0,9.782861232757568
4113,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis scouleri,3944908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis scouleri'],6,0,9.782861232757568
4114,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,9.782861232757568
4115,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,0,9.782861232757568
4116,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,0,9.782861232757568
4117,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,0,9.782861232757568
4118,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver albiflorum,5727872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver albiflorum'],6,0,9.782861232757568
4119,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,0,9.782861232757568
4120,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,0,9.782861232757568
4121,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia frutescens,1030285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia frutescens'],6,0,9.782861232757568
4122,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,0,9.782861232757568
4123,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,0,9.782861232757568
4124,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,9.782861232757568
4125,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos saetabensis,262598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos saetabensis'],6,0,9.782861232757568
4126,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,0,9.782861232757568
4127,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,9.782861232757568
4128,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,0,9.782861232757568
4129,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],6,0,9.782861232757568
4130,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,0,9.782861232757568
4131,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,0,9.782861232757568
4132,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,0,9.782861232757568
4133,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,9.782861232757568
4134,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum procumbens,620741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum procumbens'],6,0,9.782861232757568
4135,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pinnatifidum,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,0,9.782861232757568
4136,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caseana,3944909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caseana'],6,0,9.782861232757568
4137,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,0,9.782861232757568
4138,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],6,0,9.782861232757568
4139,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,9.782861232757568
4140,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,0,9.782861232757568
4141,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone albiflora,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,0,9.782861232757568
4142,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,0,9.782861232757568
4143,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver argemone,605766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver argemone'],6,0,9.782861232757568
4144,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,0,9.782861232757568
4145,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,0,9.782861232757568
4146,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,0,9.782861232757568
4147,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,0,9.782861232757568
4148,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,0,9.782861232757568
4149,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,0,9.782861232757568
4150,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,0,9.782861232757568
4151,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,0,9.782861232757568
4152,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,0,9.782861232757568
4153,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pseudoadunca,6130530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pseudoadunca'],6,0,9.782861232757568
4154,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis balansae,6130292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis balansae'],6,0,9.782861232757568
4155,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis integra,6130415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis integra'],6,0,9.782861232757568
4156,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gigantea,5727959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gigantea'],6,0,9.782861232757568
4157,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,0,9.782861232757568
4158,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver cambricum,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,0,9.782861232757568
4159,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis calliantha,6130313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis calliantha'],6,0,9.782861232757568
4160,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,0,9.782861232757568
4161,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,9.782861232757568
4162,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria judaica,5503537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria judaica'],6,0,9.782861232757568
4163,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,0,9.782861232757568
4164,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria asepala,5503538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria asepala'],6,0,9.782861232757568
4165,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,0,9.782861232757568
4166,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,0,9.782861232757568
4167,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis repens,5728014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis repens'],6,0,9.782861232757568
4168,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone alba,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,0,9.782861232757568
4169,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,0,9.782861232757568
4170,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,0,9.782861232757568
4171,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,0,9.782861232757568
4172,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,0,9.782861232757568
4173,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria petteri,5503540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria petteri'],6,0,9.782861232757568
4174,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dicentra peregrina,928561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicentra'],['Dicentra peregrina'],6,0,9.782861232757568
4175,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-HNNXBMFYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.147058152,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria kralikii,793789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria kralikii'],6,0,9.782861232757568
4176,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,0,9.782861232757568
4177,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver atlanticum,605770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver atlanticum'],6,0,9.782861232757568
4178,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum lasiocarpum,1086764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum lasiocarpum'],6,0,9.782861232757568
4179,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-OAHLLOKOSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1",COc1cc2c(cc1O)[C@H]1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lamprocapnos spectabilis,928569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Lamprocapnos'],['Lamprocapnos spectabilis'],6,0,9.782861232757568
4180,3710,-1,,,,0.9457153,ISDB,KNWVMRVOBAFFMH-UHFFFAOYSA-N,"InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3",COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,C19H21NO4,,327.14705815199994,KNWVMRVOBAFFMH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,9.782861232757568
4181,3707,-1,,,,0.0,MS1_match,WKCJIGSUKSPCKI-WNXUODGFSA-N,"InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MFe,632.3196623560001,WKCJIGSUKSPCKI,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0
4182,3707,-1,,,,0.0,MS1_match,WKCJIGSUKSPCKI-WNXUODGFSA-N,"InChI=1S/C34H48O11/c1-15-11-22(43-30(41)18(15)14-42-31-29(40)28(39)27(38)23(13-35)44-31)16(2)19-5-6-20-17-12-26-34(45-26)25(37)8-7-24(36)33(34,4)21(17)9-10-32(19,20)3/h7-8,16-17,19-23,25-29,31,35,37-40H,5-6,9-14H2,1-4H3/t16-,17-,19+,20-,21-,22+,23+,25-,26+,27+,28-,29+,31+,32+,33-,34+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MFe,632.3196623560001,WKCJIGSUKSPCKI,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
4183,3707,-1,,,,0.0,MS1_match,LZMUHRZRHBVVTP-PTGSEZCUSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27-,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C34H48O11,pos_2MFe,632.319662356,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
4184,3707,-1,,,,0.0,MS1_match,LZMUHRZRHBVVTP-MHEOYVQJSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O11,pos_2MFe,632.3196623559999,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0
4185,3707,-1,,,,0.0,MS1_match,LZMUHRZRHBVVTP-PTGSEZCUSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27-,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@H](O)[C@]23C)C1,C34H48O11,pos_2MFe,632.319662356,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
4186,3707,-1,,,,0.0,MS1_match,LZMUHRZRHBVVTP-MHEOYVQJSA-N,"InChI=1S/C34H48O11/c1-16-11-24(44-31(42)20(16)15-43-32-30(41)29(40)28(39)25(14-36)45-32)19(13-35)22-10-9-21-18-8-7-17-5-4-6-26(37)33(17,2)23(18)12-27(38)34(21,22)3/h4,6-7,18-19,21-25,27-30,32,35-36,38-41H,5,8-15H2,1-3H3/t18-,19-,21-,22+,23-,24+,25+,27+,28+,29-,30+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C34H48O11,pos_2MFe,632.3196623559999,LZMUHRZRHBVVTP,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0
4187,3707,-1,,,,0.0,MS1_match,BVSRDECOTMKNFS-UHFFFAOYSA-N,"InChI=1S/C34H48O11/c1-16-12-24(44-28(40)17(16)2)32(5)34(41)11-10-33(45-32)21-7-6-18-13-19(42-29-27(39)26(38)25(37)22(15-35)43-29)14-23(36)31(18,4)20(21)8-9-30(33,34)3/h6,19-22,24-27,29,35,37-39,41H,7-15H2,1-5H3",CC1=C(C)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3CC(OC4OC(CO)C(O)C(O)C4O)CC(=O)C32C)C1,C34H48O11,pos_2MFe,632.319662356,BVSRDECOTMKNFS,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0
4188,3707,-1,,,,0.0,MS1_match,QRRJOHYBCSTHDL-XUAGYYIXSA-N,"InChI=1S/C34H48O11/c1-15-12-21(43-30(40)17(15)14-42-31-27(39)26(38)25(37)22(13-35)44-31)16(2)18-7-8-19-24-20(9-11-32(18,19)3)33(4)23(36)6-5-10-34(33,41)29-28(24)45-29/h5-6,16,18-22,24-29,31,35,37-39,41H,7-14H2,1-4H3/t16-,18+,19-,20-,21+,22+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C34H48O11,pos_2MFe,632.319662356,QRRJOHYBCSTHDL,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
4189,3707,-1,,,,0.0,MS1_match,HRLAOGLDPYVVAD-YUXWAEGMSA-N,"InChI=1S/C34H48O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h5,7,18-19,22-24,26-29,31,35-36,38-40,42H,6,8-15H2,1-4H3/t18-,19+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C34H48O11,pos_2MFe,632.319662356,HRLAOGLDPYVVAD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0
4190,3707,-1,,,,0.0,MS1_match,MYQCFMBWOQTIOW-YUXWAEGMSA-N,"InChI=1S/C34H48O11/c1-16-11-26(45-30(41)20(16)14-35)34(4,42)24-8-7-21-19-6-5-17-12-18(43-31-29(40)28(39)27(38)23(15-36)44-31)13-25(37)33(17,3)22(19)9-10-32(21,24)2/h7,12,18-19,22-24,26-29,31,35-36,38-40,42H,5-6,8-11,13-15H2,1-4H3/t18-,19+,22+,23-,24+,26-,27-,28+,29-,31-,32+,33+,34-/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC=C3[C@@H]4CCC5=C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C34H48O11,pos_2MFe,632.319662356,MYQCFMBWOQTIOW,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0
4191,3706,-1,,,,0.0,MS1_match,PFKLAHVLCZSMBB-PNUHPAACSA-N,"InChI=1S/C34H41NO10/c1-8-24(37)43-27-19(5)15-34(45-20(6)36)26(27)29(44-25(38)9-2)33-17-41-32(7,31(34)40)28(33)22(18(3)4)12-13-23(33)42-30(39)21-11-10-14-35-16-21/h10-14,16,19,22-23,26-29H,3,8-9,15,17H2,1-2,4-7H3/t19-,22+,23+,26-,27-,28-,29+,32-,33-,34+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(=O)c2cccnc2)[C@]23CO[C@](C)(C(=O)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@H]4[C@H]2OC(=O)CC)[C@H]13,C34H41NO10,pos_1_1proton1dmso,623.273046512,PFKLAHVLCZSMBB,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],7,0,7.0
4192,3705,-1,,,,0.23093572,ISDB,JOWYQHXQROUWMG-DHYFUJELSA-N,"InChI=1S/C23H34O8/c1-13(5-4-6-14(2)11-24)7-8-16-10-17(26)15(3)9-18(16)30-23-22(29)21(28)20(27)19(12-25)31-23/h6-7,9-10,19-29H,4-5,8,11-12H2,1-3H3/b13-7-,14-6+/t19-,20-,21+,22+,23+/m0/s1",C/C(=C/Cc1cc(O)c(C)cc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)CC/C=C(\C)CO,C23H34O8,,438.225368048,JOWYQHXQROUWMG,Polyketides,Meroterpenoids,,Pyrola japonica,755277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ericaceae'],['Pyroleae'],['Pyrola'],['Pyrola japonica'],4,0,4.923742890357971
4193,3704,11,,,,0.4905283,ISDB,,,,,,,IIRDTKBZINWQAW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9621131420135498
4194,3703,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
4195,3703,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
4196,3703,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ammonium,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
4197,3702,-1,,,,0.65935117,ISDB,UYLGYRGJFUJKFM-PXNLJIHASA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3/t14-,18-,20+,21-/m0/s1",C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(O)cc2C[C@]13C,C21H30O2,,314.22458019999993,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Smenospongia aurea,486000.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Smenospongia'],['Smenospongia aurea'],2,0,4.637404680252075
4198,3702,-1,,,,0.65935117,ISDB,UYLGYRGJFUJKFM-JFJAIVLJSA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3/t14-,18-,20+,21+/m0/s1",C[C@H]1CC[C@H]2C(C)(C)CCC[C@@]23Oc2ccc(O)cc2C[C@]13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Verongula rigida,314621.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Verongiida'],['Aplysinidae'],['Unknown'],['Verongula'],['Verongula rigida'],2,0,4.637404680252075
4199,3702,-1,,,,0.65935117,ISDB,UYLGYRGJFUJKFM-UHFFFAOYSA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3",CC1CCC2C(C)(C)CCCC23Oc2ccc(O)cc2CC13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Hymeniacidon perleve,1037755.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Hymeniacidon'],['Hymeniacidon perlevis'],2,0,4.637404680252075
4200,3702,-1,,,,0.65935117,ISDB,UYLGYRGJFUJKFM-UHFFFAOYSA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3",CC1CCC2C(C)(C)CCCC23Oc2ccc(O)cc2CC13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Hymeniacidon perlevis,1037755.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Halichondriidae'],['Unknown'],['Hymeniacidon'],['Hymeniacidon perlevis'],2,0,4.637404680252075
4201,3702,-1,,,,0.65935117,ISDB,UYLGYRGJFUJKFM-LAFCKDTASA-N,"InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3/t14-,18?,20+,21?/m0/s1",C[C@H]1CCC2C(C)(C)CCCC23Oc2ccc(O)cc2C[C@]13C,C21H30O2,,314.2245802,UYLGYRGJFUJKFM,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Smenospongia,730471.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Smenospongia'],['Unknown'],2,0,4.637404680252075
4202,3700,931,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,pos_1_1proton1methanol,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
4203,3696,290,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.22804284,ISDB,NYGZYUAVZPIKBZ-ZBEGNZNMSA-N,"InChI=1S/C16H14O5/c1-19-15-5-10-11-7-20-13-4-8(17)2-3-9(13)16(11)21-14(10)6-12(15)18/h2-6,11,16-18H,7H2,1H3/t11-,16-/m0/s1",COc1cc2c(cc1O)O[C@H]1c3ccc(O)cc3OC[C@@H]21,C16H14O5,,286.084123548,NYGZYUAVZPIKBZ,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,Megaselia flavescens,4346252.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Phoridae'],['Megaseliini'],['Megaselia'],['Megaselia flavescens'],4,3,6.412171363830566
4204,3694,522,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.5104569,ISDB,LFUDDCMNKWEORN-ZXEGGCGDSA-N,"InChI=1S/C24H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h10-11,23,26H,5-9,12-22H2,1-4H3/b11-10-/t23-/m1/s1",CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C24H48NO7P,,493.3168395059999,LFUDDCMNKWEORN,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,3,3.54182767868042
4205,3693,-1,,,,0.0,MS1_match,ZPLSXLOSDYMYJW-KHYDEXNFSA-N,"InChI=1S/C23H22O11/c1-2-31-22(30)21-19(28)18(27)20(29)23(34-21)32-12-7-13(25)17-14(26)9-15(33-16(17)8-12)10-3-5-11(24)6-4-10/h3-9,18-21,23-25,27-29H,2H2,1H3/t18-,19-,20+,21-,23+/m0/s1",CCOC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O11,pos_1_1proton,474.116211524,ZPLSXLOSDYMYJW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4206,3693,-1,,,,0.0,MS1_match,ZPLSXLOSDYMYJW-OZOVBHBASA-N,"InChI=1S/C23H22O11/c1-2-31-22(30)21-19(28)18(27)20(29)23(34-21)32-12-7-13(25)17-14(26)9-15(33-16(17)8-12)10-3-5-11(24)6-4-10/h3-9,18-21,23-25,27-29H,2H2,1H3/t18-,19+,20+,21-,23+/m0/s1",CCOC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@H]1O,C23H22O11,pos_1_1proton,474.116211524,ZPLSXLOSDYMYJW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,0,7.0
4207,3693,-1,,,,0.0,MS1_match,LYFXRHUNCZZUTQ-DODNOZFWSA-N,"InChI=1S/C23H22O11/c1-10(24)31-9-18-20(28)21(29)22(30)23(34-18)32-13-6-14(26)19-15(27)8-16(33-17(19)7-13)11-2-4-12(25)5-3-11/h2-8,18,20-23,25-26,28-30H,9H2,1H3/t18-,20-,21+,22-,23-/m1/s1",CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O11,pos_1_1proton,474.116211524,LYFXRHUNCZZUTQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
4208,3693,-1,,,,0.0,MS1_match,NPECUJYKTQHRAW-VLXBDIDVSA-N,"InChI=1S/C23H22O11/c1-2-31-22(30)21-18(28)17(27)19(29)23(34-21)33-14-8-7-12-13(25)9-15(32-20(12)16(14)26)10-3-5-11(24)6-4-10/h3-9,17-19,21,23-24,26-29H,2H2,1H3/t17-,18-,19+,21-,23+/m0/s1",CCOC(=O)[C@H]1O[C@@H](Oc2ccc3c(=O)cc(-c4ccc(O)cc4)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O,C23H22O11,pos_1_1proton,474.116211524,NPECUJYKTQHRAW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,0,7.0
4209,3691,-1,,,,0.0,MS1_match,OTXNTMVVOOBZCV-UHFFFAOYSA-N,"InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3",CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)CCc2cc(O)c(C)c(C)c2O1,C28H42O2,pos_1_minus1proton1iron,410.31848058399993,OTXNTMVVOOBZCV,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4210,3690,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7275544,ISDB,CKPBBEOJHAPPBT-HXUWFJFHSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1",CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,C21H44NO7P,,453.285539378,CKPBBEOJHAPPBT,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],0,3,4.410217523574829
4211,3690,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7275544,ISDB,CKPBBEOJHAPPBT-UHFFFAOYSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN,C21H44NO7P,,453.2855393779999,CKPBBEOJHAPPBT,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],0,3,4.410217523574829
4212,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
4213,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
4214,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
4215,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
4216,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
4217,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
4218,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
4219,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,3,8.5
4220,3689,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
4221,3688,758,,,,0.28039908,ISDB,,,,,,,JYGCFKIEXRCHGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.121596336364746
4222,3687,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.71894115,ISDB,CKPBBEOJHAPPBT-HXUWFJFHSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1",CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,C21H44NO7P,,453.285539378,CKPBBEOJHAPPBT,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],0,3,4.375764608383179
4223,3687,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.71894115,ISDB,CKPBBEOJHAPPBT-UHFFFAOYSA-N,"InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)29-20(18-23)19-28-30(25,26)27-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCCN,C21H44NO7P,,453.2855393779999,CKPBBEOJHAPPBT,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],0,3,4.375764608383179
4224,3685,124,Fatty acids,Fatty amides,Primary amides,0.6448576,ISDB,LYRFLYHAGKPMFH-UHFFFAOYSA-N,"InChI=1S/C18H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H2,19,20)",CCCCCCCCCCCCCCCCCC(N)=O,C18H37NO,,283.287514804,LYRFLYHAGKPMFH,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,8.079430341720581
4225,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VNLQNGYIXVTQRR-YJXCLCGISA-N,"InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17+,18+,19-,20-,21-/m1/s1",CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C21H30O5,pos_2MFe,362.20932406,VNLQNGYIXVTQRR,Terpenoids,Steroids,Ecdysteroids,Serratula tinctoria,879496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Serratula'],['Serratula tinctoria'],7,1,7.5
4226,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VNLQNGYIXVTQRR-NQPIQAHSSA-N,"InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1",CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C21H30O5,pos_2MFe,362.20932406,VNLQNGYIXVTQRR,Terpenoids,Steroids,Ecdysteroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,1,7.5
4227,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,VNLQNGYIXVTQRR-NQPIQAHSSA-N,"InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1",CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C21H30O5,pos_2MFe,362.20932406,VNLQNGYIXVTQRR,Terpenoids,Steroids,Ecdysteroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,1,7.5
4228,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,MDRPZJALROIKMT-OMBLBEMTSA-N,"InChI=1S/C21H30O5/c1-20-9-7-15(12-22)21(2,11-17(23)14-8-10-26-13-14)18(20)6-4-5-16(20)19(24)25-3/h5,8,10,13,15,17-18,22-23H,4,6-7,9,11-12H2,1-3H3/t15-,17-,18-,20-,21-/m0/s1",COC(=O)C1=CCC[C@@H]2[C@@](C)(C[C@H](O)c3ccoc3)[C@H](CO)CC[C@@]12C,C21H30O5,pos_2MFe,362.20932406,MDRPZJALROIKMT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Nidorella elliotii,7598368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella elliotii'],6,3,7.5
4229,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ZSKQNYQQCWYYSU-WTPAXMCGSA-N,"InChI=1S/C21H30O5/c1-13-8-11-21(19(23)24)14(2)6-5-7-16(21)20(13,3)10-9-15-12-17(25-4)26-18(15)22/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,23,24)/t13-,16+,17+,20-,21-/m1/s1",CO[C@@H]1C=C(CC[C@]2(C)[C@H](C)CC[C@@]3(C(=O)O)C(C)=CCC[C@H]32)C(=O)O1,C21H30O5,pos_2MFe,362.20932406,ZSKQNYQQCWYYSU,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,3,7.5
4230,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,OMPUFZJBZRIZHJ-JIVFAJJISA-N,"InChI=1S/C21H30O5/c1-13-8-10-21(3)15(19(24)25-4)6-5-7-16(21)20(13,2)11-9-14-12-17(22)26-18(14)23/h6,12-13,16-17,22H,5,7-11H2,1-4H3/t13-,16-,17+,20+,21+/m1/s1",COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=C[C@@H](O)OC3=O)[C@H](C)CC[C@@]12C,C21H30O5,pos_2MFe,362.20932406,OMPUFZJBZRIZHJ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Grangea maderaspatana,583700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grangea'],['Grangea maderaspatana'],6,3,7.5
4231,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,LKCDRCCSEGFFNK-JIVFAJJISA-N,"InChI=1S/C21H30O5/c1-13-8-10-21(3)15(18(22)23)6-5-7-16(21)20(13,2)11-9-14-12-17(25-4)26-19(14)24/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,22,23)/t13-,16-,17+,20+,21+/m1/s1",CO[C@@H]1C=C(CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)C(=O)O1,C21H30O5,pos_2MFe,362.20932406,LKCDRCCSEGFFNK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Grangea maderaspatana,583700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grangea'],['Grangea maderaspatana'],6,3,7.5
4232,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,LKCDRCCSEGFFNK-UHFFFAOYSA-N,"InChI=1S/C21H30O5/c1-13-8-10-21(3)15(18(22)23)6-5-7-16(21)20(13,2)11-9-14-12-17(25-4)26-19(14)24/h6,12-13,16-17H,5,7-11H2,1-4H3,(H,22,23)",COC1C=C(CCC2(C)C(C)CCC3(C)C(C(=O)O)=CCCC32)C(=O)O1,C21H30O5,pos_2MFe,362.20932406,LKCDRCCSEGFFNK,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Grangea,250761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grangea'],['Unknown'],6,3,7.5
4233,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,WXKAHDUEQYNCAI-JIVFAJJISA-N,"InChI=1S/C21H30O5/c1-13-10-17(22)21(3)15(19(24)25-4)6-5-7-16(21)20(13,2)9-8-14-11-18(23)26-12-14/h6,11,13,16-17,22H,5,7-10,12H2,1-4H3/t13-,16-,17+,20+,21+/m1/s1",COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C,C21H30O5,pos_2MFe,362.20932406,WXKAHDUEQYNCAI,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Pulicaria wightiana,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],6,3,7.5
4234,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,SCUXVSVJZSSYMR-MPESTPMTSA-N,"InChI=1S/C21H30O5/c1-13-16(24-3)10-21-12-26-19(23)15(21)5-4-6-17(21)20(13,2)8-7-14-9-18(22)25-11-14/h5,13-14,16-17H,4,6-12H2,1-3H3/t13-,14-,16+,17-,20+,21-/m1/s1",CO[C@H]1C[C@@]23COC(=O)C2=CCC[C@@H]3[C@@](C)(CC[C@H]2COC(=O)C2)[C@@H]1C,C21H30O5,pos_2MFe,362.20932406,SCUXVSVJZSSYMR,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis nitida,7600056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis nitida'],6,3,7.5
4235,3681,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,RBOVBGSBFUZCEO-RNEDXHKXSA-N,"InChI=1S/C21H30O5/c1-13-6-5-7-16-20(13,2)11-9-15(18(22)23)21(16,3)10-8-14-12-17(25-4)26-19(14)24/h6,12,15-17H,5,7-11H2,1-4H3,(H,22,23)/t15-,16-,17-,20-,21-/m0/s1",CO[C@@H]1C=C(CC[C@]2(C)[C@H]3CCC=C(C)[C@]3(C)CC[C@H]2C(=O)O)C(=O)O1,C21H30O5,pos_2MFe,362.20932406,RBOVBGSBFUZCEO,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Linochilus floribundus,498041.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Piofontia'],['Piofontia floribunda'],6,3,7.5
4236,3680,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JVKYZPBMZPJNAJ-OQFNDJACSA-N,"InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO,pos_1_1proton,397.334464996,JVKYZPBMZPJNAJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4237,3677,-1,,,,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1proton1ethylamine,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4238,3677,-1,,,,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1proton1ethylamine,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4239,3677,-1,,,,0.0,MS1_match,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,pos_1_1proton1ethylamine,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4240,3676,-1,,,,0.0,MS1_match,IJEZFJFCQWYKEM-ITLSJTBUSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38+,39+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C49H86O15,pos_1_1sodium,914.596672052,IJEZFJFCQWYKEM,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4241,3676,-1,,,,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_1_1sodium,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0
4242,3676,-1,,,,0.0,MS1_match,WVWINZZVFAFVMJ-GDVDIDQFSA-N,"InChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-41(52)62-37(34-59-40(51)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C49H86O15,pos_1_1sodium,914.596672052,WVWINZZVFAFVMJ,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Dittrichia viscosa,433994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Dittrichia'],['Dittrichia viscosa'],6,0,6.0
4243,3676,-1,,,,0.0,MS1_match,TUUXXJDESDKYDH-PLEJJZNTSA-N,"InChI=1S/C47H88O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(49)57-32-35(60-39(50)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-58-46-45(56)43(54)41(52)37(62-46)34-59-47-44(55)42(53)40(51)36(31-48)61-47/h35-37,40-48,51-56H,3-34H2,1-2H3/t35-,36-,37-,40+,41+,42+,43+,44-,45-,46-,47+/m1/s1",CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC,C47H88O15,pos_1_minus1proton2sodium,892.612322116,TUUXXJDESDKYDH,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0
4244,3673,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.80580014,ISDB,SFIHQZFZMWZOJV-HZJYTTRNSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,1,3.723200559616089
4245,3673,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.80580014,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],0,1,3.723200559616089
4246,3670,782,Alkaloids,Ornithine alkaloids,Tropane alkaloids,0.45408028,ISDB,FXFBVZOJVHCEDO-FHKSGDNWSA-N,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1",O[C@H]1[C@H](O)[C@@H](O)[C@@]2(O)CC[C@@H]1N2,C7H13NO4,,175.084457896,FXFBVZOJVHCEDO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.31632113456726
4247,3668,-1,,,,0.0,MS1_match,XQQKZIVFXGPJHN-PPPULTNZSA-N,"InChI=1S/C26H42O10/c1-5-26(4,36-25-23(32)22(31)21(30)20(15-28)35-25)11-7-10-18(14-27)9-6-8-16(2)12-19(29)13-17(3)24(33)34/h5,8,10,13,19-23,25,27-32H,1,6-7,9,11-12,14-15H2,2-4H3,(H,33,34)/b16-8+,17-13+,18-10-/t19-,20-,21-,22+,23-,25+,26-/m1/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)C[C@@H](O)/C=C(\C)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H42O10,pos_1_1proton1ammonium,514.277797544,XQQKZIVFXGPJHN,Terpenoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4248,3661,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-OOTIVDEESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16-,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@H]12,C21H34O11,pos_1_1sodium,462.210111908,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon hirsutus,998404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon hirsutus'],6,0,6.0
4249,3661,-1,,,,0.0,MS1_match,BGDMXWQJUGENQP-OOTIVDEESA-N,"InChI=1S/C21H34O11/c1-9(2)3-15(25)32-20-16-11(4-13(24)12(16)5-22)10(7-29-20)8-30-21-19(28)18(27)17(26)14(6-23)31-21/h7,9,11-14,16-24,26-28H,3-6,8H2,1-2H3/t11-,12+,13+,14-,16-,17-,18+,19-,20+,21-/m1/s1",CC(C)CC(=O)O[C@@H]1OC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C[C@H](O)[C@H](CO)[C@H]12,C21H34O11,pos_1_1sodium,462.210111908,BGDMXWQJUGENQP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon hirsutus,998404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon hirsutus'],6,0,6.0
4250,3661,-1,,,,0.0,MS1_match,CBSFNBFNBQFAQG-ALWYBGAQSA-N,"InChI=1S/C21H34O11/c1-9(2)5-14(24)31-19-15-10(6-13(23)20(15,3)28)11(8-30-19)21(29-4)18(27)17(26)16(25)12(7-22)32-21/h8-10,12-13,15-19,22-23,25-28H,5-7H2,1-4H3/t10-,12-,13-,15-,16-,17+,18-,19+,20-,21-/m1/s1",CO[C@]1(C2=CO[C@@H](OC(=O)CC(C)C)[C@H]3[C@@H]2C[C@@H](O)[C@@]3(C)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1sodium,462.210111908,CBSFNBFNBQFAQG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
4251,3661,-1,,,,0.0,MS1_match,CBSFNBFNBQFAQG-ALWYBGAQSA-N,"InChI=1S/C21H34O11/c1-9(2)5-14(24)31-19-15-10(6-13(23)20(15,3)28)11(8-30-19)21(29-4)18(27)17(26)16(25)12(7-22)32-21/h8-10,12-13,15-19,22-23,25-28H,5-7H2,1-4H3/t10-,12-,13-,15-,16-,17+,18-,19+,20-,21-/m1/s1",CO[C@]1(C2=CO[C@@H](OC(=O)CC(C)C)[C@H]3[C@@H]2C[C@@H](O)[C@@]3(C)O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H34O11,pos_1_1sodium,462.210111908,CBSFNBFNBQFAQG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon richardsonii,421349.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon richardsonii'],6,0,6.0
4252,3659,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7946245,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,1,7.678498029708862
4253,3658,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.45977217,ISDB,OLSOYTHXHBNGLE-RWHKXBQASA-N,"InChI=1S/C16H20O3/c1-7-5-13(18)15-8(2)10(4)19-16(15)14-9(3)12(17)6-11(7)14/h11-18H,1-6H2/t11-,12-,13+,14-,15+,16+/m0/s1",C=C1O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@@H](O)[C@H]2C1=C,C16H20O3,,260.1412445,OLSOYTHXHBNGLE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Crepis crocea,237606.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Crepis'],['Crepis crocea'],4,2,6.839088678359985
4254,3654,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.641298,ISDB,MDPUNMGRMZRRAD-LBPRGKRZSA-N,"InChI=1S/C12H14N2O4/c1-14-10(15)12(18-3,13-11(14)16)8-4-6-9(17-2)7-5-8/h4-7H,1-3H3,(H,13,16)/t12-/m0/s1",COc1ccc([C@@]2(OC)NC(=O)N(C)C2=O)cc1,C12H14N2O4,,250.095356928,MDPUNMGRMZRRAD,Alkaloids,Anthranilic acid alkaloids,,Polycarpa aurata,1096512.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Polycarpa'],['Polycarpa aurata'],2,0,4.565191984176636
4255,3654,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.641298,ISDB,MDPUNMGRMZRRAD-LBPRGKRZSA-N,"InChI=1S/C12H14N2O4/c1-14-10(15)12(18-3,13-11(14)16)8-4-6-9(17-2)7-5-8/h4-7H,1-3H3,(H,13,16)/t12-/m0/s1",COc1ccc([C@@]2(OC)NC(=O)N(C)C2=O)cc1,C12H14N2O4,,250.095356928,MDPUNMGRMZRRAD,Alkaloids,Anthranilic acid alkaloids,,Polycarpa clavata,3646475.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Styelidae'],['Unknown'],['Polycarpa'],['Polycarpa clavata'],2,0,4.565191984176636
4256,3651,-1,,,,0.0,MS1_match,AVKVSPVJSULWPS-JNFWLDLMSA-N,"InChI=1S/C31H42O8/c1-15-10-23(38-27(34)16(15)2)17(3)21-12-26(37-18(4)32)31(35)22-13-25-30(39-25)14-19(36-7)11-24(33)29(30,6)20(22)8-9-28(21,31)5/h12,17,19-20,22-23,25-26,35H,8-11,13-14H2,1-7H3/t17-,19-,20-,22+,23+,25+,26-,28+,29-,30+,31-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)=C[C@H](OC(C)=O)[C@@]4(O)[C@@H]3C[C@H]3O[C@]32C1,C31H42O8,pos_1_1proton1dmso,542.2879683039998,AVKVSPVJSULWPS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0
4257,3649,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5185264,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Cenchrus americanus,1079449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Cenchrus'],['Cenchrus americanus'],6,3,9.574105501174927
4258,3648,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.72263205,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.390528202056885
4259,3648,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.72263205,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.390528202056885
4260,3639,-1,,,,0.20333493,ISDB,WKUVQUIYZHZZFT-UHFFFAOYSA-N,"InChI=1S/C15H14N2O4/c1-21-15(20)11-6-9-8-4-2-3-5-10(8)16-13(9)14(17-11)12(19)7-18/h2-6,12,16,18-19H,7H2,1H3",COC(=O)c1cc2c([nH]c3ccccc32)c(C(O)CO)n1,C15H14N2O4,,286.095356928,WKUVQUIYZHZZFT,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],4,0,4.813339710235596
4261,3636,246,Terpenoids,Saccharides,Disaccharides,0.33859882,ISDB,JPLATTLXZFUKRQ-UVMZSPEXSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Chondrus ocellatus,372375.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Chondrus'],['Chondrus ocellatus'],2,3,4.854395270347595
4262,3636,246,Terpenoids,Saccharides,Disaccharides,0.33859882,ISDB,JPLATTLXZFUKRQ-AWXGPMDLSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6-,7+,8+,9-,10+,11-,12+/m1/s1",O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Gloiopeltis furcata,275661.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Gloiopeltis'],['Gloiopeltis furcata'],2,3,4.854395270347595
4263,3636,246,Terpenoids,Saccharides,Disaccharides,0.33859882,ISDB,JPLATTLXZFUKRQ-UHFFFAOYSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2",O=CC(O)C1OCC(O)C1OC1OC(CO)C(O)C(O)C1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Pterocladiella tenuis,182322.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Pterocladiella'],['Pterocladiella tenuis'],2,3,4.854395270347595
4264,3634,469,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,0.7302778,ISDB,DKRYSHHGXFYAHR-QZTJIDSGSA-N,"InChI=1S/C19H17NO5/c21-18-11-1-2-14-19(25-9-22-14)13(11)7-20-4-3-10-5-15-16(24-8-23-15)6-12(10)17(18)20/h1-2,5-6,17-18,21H,3-4,7-9H2/t17-,18-/m1/s1",O[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C19H17NO5,,339.110672644,DKRYSHHGXFYAHR,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,10.421111106872559
4265,3634,469,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,0.7302778,ISDB,DKRYSHHGXFYAHR-QZTJIDSGSA-N,"InChI=1S/C19H17NO5/c21-18-11-1-2-14-19(25-9-22-14)13(11)7-20-4-3-10-5-15-16(24-8-23-15)6-12(10)17(18)20/h1-2,5-6,17-18,21H,3-4,7-9H2/t17-,18-/m1/s1",O[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C19H17NO5,,339.110672644,DKRYSHHGXFYAHR,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,10.421111106872559
4266,3631,978,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.4799314,ISDB,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Dytiscus marginalis,551469.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Dytiscidae'],['Dytiscini'],['Dytiscus'],['Dytiscus marginalis'],5,3,8.4197256565094
4267,3630,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0
4268,3630,-1,,,,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Nicotiana rustica,222777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana rustica'],6,0,6.0
4269,3630,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0
4270,3630,-1,,,,0.0,MS1_match,IZRMHEYYBIXPBM-CXIUWYNBSA-N,"InChI=1S/C19H32O8/c1-10(26-17-16(24)15(23)14(22)12(9-20)27-17)5-6-13-18(2,3)7-11(21)8-19(13,4)25/h5,10-12,14-17,20-25H,7-9H2,1-4H3/t6?,10-,11+,12-,14-,15+,16-,17-,19-/m1/s1",C[C@H](C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,IZRMHEYYBIXPBM,Terpenoids,Apocarotenoids,Megastigmanes,Lycium barbarum,40038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium barbarum'],6,0,6.0
4271,3630,-1,,,,0.0,MS1_match,OEOWMDSFDQHCFJ-JUMADDCISA-N,"InChI=1S/C38H64O16/c1-7-38(6,54-37-33(48)30(45)34(25(18-40)52-37)53-36-32(47)28(43)26(41)23(5)50-36)16-10-15-21(3)12-8-11-20(2)13-9-14-22(4)19-49-35-31(46)29(44)27(42)24(17-39)51-35/h7,11,14-15,23-37,39-48H,1,8-10,12-13,16-19H2,2-6H3/b20-11+,21-15+,22-14-/t23-,24+,25+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36-,37-,38+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O,C38H64O16,pos_2_2sodium,776.419435968,OEOWMDSFDQHCFJ,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Nicotiana attenuata,882065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana attenuata'],6,0,6.0
4272,3630,-1,,,,0.0,MS1_match,WCALJGCPGKSKSU-UHFFFAOYSA-N,"InChI=1S/C38H64O16/c1-7-38(6,48)16-10-15-24(17-39)14-9-12-20(2)11-8-13-21(3)18-49-36-33(47)30(44)34(54-37-32(46)29(43)27(41)23(5)52-37)25(53-36)19-50-35-31(45)28(42)26(40)22(4)51-35/h7,12-13,15,22-23,25-37,39-48H,1,8-11,14,16-19H2,2-6H3",C=CC(C)(O)CCC=C(CO)CCC=C(C)CCC=C(C)COC1OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O,C38H64O16,pos_2_2sodium,776.419435968,WCALJGCPGKSKSU,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4273,3628,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.71877855,ISDB,WTVDRHSULHNSJV-LIRRHRJNSA-N,"InChI=1S/C19H23NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4,7,10,14H,5-6,8-9,11H2,1-3H3/t14-,19-/m0/s1",COc1cc2c3c(c1OC)[C@]1(C=CC(=O)CC1)C[C@@H]3N(C)CC2,C19H23NO3,,313.167793596,WTVDRHSULHNSJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,3,10.37511420249939
4274,3627,141,,,,0.64945763,ISDB,,,,,,,NABYCXSHQMCCEZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.5978305339813232
4275,3626,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.3653177,ISDB,IQGBPJFXIUKNHN-UHFFFAOYSA-N,"InChI=1S/C18H24O/c1-3-4-5-6-7-8-9-10-11-12-17-13-16(2)14-18(19)15-17/h14,17H,3-8,13,15H2,1-2H3",CCCCCCCC#CC#CC1CC(=O)C=C(C)C1,C18H24O,,256.182715388,IQGBPJFXIUKNHN,,,,Montipora,134705.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Scleractinia'],['Acroporidae'],['Unknown'],['Montipora'],['Unknown'],2,0,3.461270809173584
4276,3625,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,7.5
4277,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,HHYMHAFBPNXEIC-GKPRNFRUSA-N,"InChI=1S/C22H34O4/c1-14-8-9-19-21(4,5)10-7-11-22(19,6)17(14)13-18(26-16(3)23)15(2)12-20(24)25/h12,17-19H,1,7-11,13H2,2-6H3,(H,24,25)/b15-12+/t17-,18+,19-,22+/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)/C(C)=C/C(=O)O,C22H34O4,pos_1_minus1proton1iron,362.245709568,HHYMHAFBPNXEIC,Terpenoids,Diterpenoids,Labdane diterpenoids,Leiocarpa semicalva,5784671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Leiocarpa'],['Leiocarpa semicalva'],6,3,7.5
4278,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JAOSZJFNMXPMLX-BULWIKRESA-N,"InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h8,13,17-19H,7,9-12H2,1-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC/C(C)=C/C(=O)O)C(C)=CC[C@H]2C1(C)C,C22H34O4,pos_1_minus1proton1iron,362.245709568,JAOSZJFNMXPMLX,Terpenoids,Diterpenoids,Labdane diterpenoids,Solidago canadensis,872344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago canadensis'],6,3,7.5
4279,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JAOSZJFNMXPMLX-CEIGORNYSA-N,"InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h8,13,17-19H,7,9-12H2,1-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC/C(C)=C/C(=O)O)C(C)=CC[C@H]2C1(C)C,C22H34O4,pos_1_minus1proton1iron,362.245709568,JAOSZJFNMXPMLX,Terpenoids,Diterpenoids,Labdane diterpenoids,Solidago sempervirens,414845.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago sempervirens'],6,3,7.5
4280,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,RBRBCQOZLYVCRZ-ICOPTDMOSA-N,"InChI=1S/C22H34O4/c1-15-12-18(23)20-21(2,3)10-7-11-22(20,4)17(15)9-8-16(14-25-5)13-19(24)26-6/h12-13,17,20H,7-11,14H2,1-6H3/b16-13+/t17-,20-,22+/m1/s1",COC/C(=C/C(=O)OC)CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C,C22H34O4,pos_1_minus1proton1iron,362.245709568,RBRBCQOZLYVCRZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Acritopappus confertus,5920784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acritopappus'],['Acritopappus confertus'],6,3,7.5
4281,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,HHYMHAFBPNXEIC-GKPRNFRUSA-N,"InChI=1S/C22H34O4/c1-14-8-9-19-21(4,5)10-7-11-22(19,6)17(14)13-18(26-16(3)23)15(2)12-20(24)25/h12,17-19H,1,7-11,13H2,2-6H3,(H,24,25)/b15-12+/t17-,18+,19-,22+/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)/C(C)=C/C(=O)O,C22H34O4,pos_1_minus1proton1iron,362.245709568,HHYMHAFBPNXEIC,Terpenoids,Diterpenoids,Labdane diterpenoids,Chrysocephalum ambiguum,7600856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Chrysocephalum'],['Chrysocephalum ambiguum'],6,3,7.5
4282,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ULWOIBVJYLRVQJ-RDTJIEFLSA-N,"InChI=1S/C22H34O4/c1-15(13-20(24)25)7-9-18-16(2)8-10-19-21(4,14-26-17(3)23)11-6-12-22(18,19)5/h13,18-19H,2,6-12,14H2,1,3-5H3,(H,24,25)/b15-13+/t18-,19-,21+,22+/m1/s1",C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_1_minus1proton1iron,362.245709568,ULWOIBVJYLRVQJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Chrysocephalum ambiguum,7600856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Chrysocephalum'],['Chrysocephalum ambiguum'],6,3,7.5
4283,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ULWOIBVJYLRVQJ-RDTJIEFLSA-N,"InChI=1S/C22H34O4/c1-15(13-20(24)25)7-9-18-16(2)8-10-19-21(4,14-26-17(3)23)11-6-12-22(18,19)5/h13,18-19H,2,6-12,14H2,1,3-5H3,(H,24,25)/b15-13+/t18-,19-,21+,22+/m1/s1",C=C1CC[C@@H]2[C@](C)(COC(C)=O)CCC[C@@]2(C)[C@@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_1_minus1proton1iron,362.245709568,ULWOIBVJYLRVQJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Leiocarpa semicalva,5784671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Leiocarpa'],['Leiocarpa semicalva'],6,3,7.5
4284,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UZVOKBODOSKIIR-VEHBUBSWSA-N,"InChI=1S/C22H34O4/c1-15-7-10-19-21(3,4)11-6-12-22(19,5)18(15)9-8-17(13-20(24)25)14-26-16(2)23/h13,18-19H,1,6-12,14H2,2-5H3,(H,24,25)/b17-13-/t18-,19-,22+/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C/C(=O)O)COC(C)=O,C22H34O4,pos_1_minus1proton1iron,362.245709568,UZVOKBODOSKIIR,Terpenoids,Diterpenoids,Labdane diterpenoids,Leiocarpa semicalva,5784671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Leiocarpa'],['Leiocarpa semicalva'],6,3,7.5
4285,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,UZVOKBODOSKIIR-VEHBUBSWSA-N,"InChI=1S/C22H34O4/c1-15-7-10-19-21(3,4)11-6-12-22(19,5)18(15)9-8-17(13-20(24)25)14-26-16(2)23/h13,18-19H,1,6-12,14H2,2-5H3,(H,24,25)/b17-13-/t18-,19-,22+/m1/s1",C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC/C(=C/C(=O)O)COC(C)=O,C22H34O4,pos_1_minus1proton1iron,362.245709568,UZVOKBODOSKIIR,Terpenoids,Diterpenoids,Labdane diterpenoids,Chrysocephalum ambiguum,7600856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Chrysocephalum'],['Chrysocephalum ambiguum'],6,3,7.5
4286,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,OMNJRQNCWHCCBZ-BULWIKRESA-N,"InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19-,22+/m0/s1",C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O,C22H34O4,pos_1_minus1proton1iron,362.245709568,OMNJRQNCWHCCBZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Solidago canadensis,872344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago canadensis'],6,3,7.5
4287,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,HSANNLXBHKRHSH-KEUIBQCHSA-N,"InChI=1S/C22H34O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h11,18-19H,2,6-10,12-14H2,1,3-5H3,(H,24,25)/b15-11+/t18-,19+,21+,22+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1CC/C(C)=C/COC(C)=O,C22H34O4,pos_1_minus1proton1iron,362.245709568,HSANNLXBHKRHSH,Terpenoids,Diterpenoids,Labdane diterpenoids,Chrysothamnus viscidiflorus,1008411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Chrysothamnus'],['Chrysothamnus viscidiflorus'],6,3,7.5
4288,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,MGXRFKNRAHZEED-YZVKACDVSA-N,"InChI=1S/C22H34O4/c1-14(11-12-26-16(3)23)7-9-17-15(2)8-10-19-21(4,5)20(25)18(24)13-22(17,19)6/h8,11,17,19-20,25H,7,9-10,12-13H2,1-6H3/b14-11+/t17-,19-,20-,22+/m1/s1",CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]12C,C22H34O4,pos_1_minus1proton1iron,362.245709568,MGXRFKNRAHZEED,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis bolivensis,715543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis boliviensis'],6,3,7.5
4289,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,MGXRFKNRAHZEED-YZVKACDVSA-N,"InChI=1S/C22H34O4/c1-14(11-12-26-16(3)23)7-9-17-15(2)8-10-19-21(4,5)20(25)18(24)13-22(17,19)6/h8,11,17,19-20,25H,7,9-10,12-13H2,1-6H3/b14-11+/t17-,19-,20-,22+/m1/s1",CC(=O)OC/C=C(\C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](O)C(=O)C[C@@]12C,C22H34O4,pos_1_minus1proton1iron,362.245709568,MGXRFKNRAHZEED,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis boliviensis,715543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis boliviensis'],6,3,7.5
4290,3623,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,GZJSXUIOADQGRM-XMGTWHOFSA-N,"InChI=1S/C22H34O4/c1-8-21(6,25)13-10-16-14(2)17(24)18(26-15(3)23)19-20(4,5)11-9-12-22(16,19)7/h8,18-19,25H,1,9-13H2,2-7H3/t18-,19+,21+,22-/m1/s1",C=C[C@](C)(O)CCC1=C(C)C(=O)[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C,C22H34O4,pos_1_minus1proton1iron,362.245709568,GZJSXUIOADQGRM,Terpenoids,Diterpenoids,Labdane diterpenoids,Haplopappus parvifolius,7599230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus parvifolius'],6,3,7.5
4291,3622,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
4292,3620,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8000453,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.700181245803833
4293,3620,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8000453,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.700181245803833
4294,3620,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8000453,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Bistorta bistortoides,3943797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Persicarieae'],['Bistorta'],['Bistorta bistortoides'],4,3,8.700181245803833
4295,3620,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8000453,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],4,3,8.700181245803833
4296,3620,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8000453,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],4,3,8.700181245803833
4297,3620,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8000453,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],4,3,8.700181245803833
4298,3620,74,Amino acids and Peptides,Small peptides,Aminoacids,0.8000453,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],4,3,8.700181245803833
4299,3619,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4300,3619,-1,,,,0.0,MS1_match,QQRSSHFHXYSOMF-CXXOJBQZSA-N,"InChI=1S/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C=O)CCC[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,QQRSSHFHXYSOMF,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4301,3619,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4302,3619,-1,,,,0.0,MS1_match,KSBJAONOPKRVRR-YTJHIPEWSA-N,"InChI=1S/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)/t12-,13+,14+,17+,18+,19-,20-/m0/s1",C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CCC[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O,C20H26O5,pos_1_minus1proton2sodium,346.1780239319999,KSBJAONOPKRVRR,Terpenoids,Diterpenoids,Gibberellins,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4303,3618,-1,,,,0.0,MS1_match,JMSVCTWVEWCHDZ-UHFFFAOYSA-N,"InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)",COc1cc(C(=O)O)cc(OC)c1O,C9H10O5,pos_2MH,198.05282342,JMSVCTWVEWCHDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
4304,3617,-1,,,,0.0,MS1_match,FPYKJQSRWXKDRY-UUGBRMIUSA-N,"InChI=1S/C20H27NO12/c21-5-10(8-1-3-9(23)4-2-8)31-20-18(29)16(27)14(25)12(33-20)7-30-19-17(28)15(26)13(24)11(6-22)32-19/h1-4,10-20,22-29H,6-7H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1,C20H27NO12,pos_1_1proton1methanol,473.153325304,FPYKJQSRWXKDRY,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Sorghum bicolor,552986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum bicolor'],6,0,6.0
4305,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea micrantha,407814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea micrantha'],7,3,8.5
4306,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea australis,337140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus chilensis'],7,3,8.5
4307,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea micranthos,7613227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea micranthos'],7,3,8.5
4308,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea jacea,242075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea jacea'],7,3,8.5
4309,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea stoebe,409449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea stoebe'],7,3,8.5
4310,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,3,8.5
4311,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
4312,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
4313,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
4314,3615,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.0,MS1_match,RSMPWZLGTSXXMK-BYFNFPHLSA-N,"InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-10,17H,2,11-16H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCC=O,C17H26O,pos_1_minus1proton1iron,246.198365452,RSMPWZLGTSXXMK,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,3,8.5
4315,3613,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JXOHGGNKMLTUBP-HSUXUTPPSA-N,"InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C7H10O5,pos_2MHCH3CN,174.05282342,JXOHGGNKMLTUBP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
4316,3613,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MFe,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
4317,3613,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MFe,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
4318,3612,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C28H56O2,pos_2_2proton2acetonitrile,424.4280310319999,UTOPWMOLSKOLTQ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Malvaviscus arboreus,108599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malvaviscus'],['Malvaviscus arboreus'],6,2,7.0
4319,3611,443,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,LYTHASQZLYCEJZ-WPMSVZFXSA-N,"InChI=1S/C16H30O8/c1-6-21-11-7-10(19-4)14(9(3)22-11)24-16-13(18)15(20-5)12(17)8(2)23-16/h8-18H,6-7H2,1-5H3/t8-,9-,10-,11-,12-,13-,14-,15+,16+/m1/s1",CCO[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1,C16H30O8,pos_1_1proton1ethylamine,350.19406791999995,LYTHASQZLYCEJZ,Carbohydrates,,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
4320,3609,536,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5
4321,3609,536,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,9.5
4322,3607,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.38203084,ISDB,CEONHUOPPCKWAP-WVZRYYJFSA-N,"InChI=1S/C18H31NO4/c1-4-6-7-8-14-13(9-10-15(14)20)11-16(21)19-17(18(22)23)12(3)5-2/h12-14,17H,4-11H2,1-3H3,(H,19,21)(H,22,23)/t12-,13-,14+,17+/m1/s1",CCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@H](C(=O)O)[C@H](C)CC,C18H31NO4,,325.225308472,CEONHUOPPCKWAP,Amino acids and Peptides,Small peptides,Dipeptides,Fusarium oxysporum,404217.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Fusarium oxysporum'],1,3,4.028123378753662
4323,3606,-1,,,,0.0,MS1_match,PADQINQHPQKXNL-GJZGRUSLSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15-/m0/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1sodium,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4324,3604,-1,,,,0.0,MS1_match,YGNZHEOASXYUAE-XYXVYCFYSA-N,"InChI=1S/C33H42O10/c1-16-24(43-28(38)20-12-10-9-11-13-20)23-27(41-18(3)35)31(7)14-21-22(15-30(5,6)25(21)37)32(31,8)29(42-19(4)36)33(23,39)26(16)40-17(2)34/h9-13,16,21-24,26-27,29,39H,14-15H2,1-8H3/t16-,21-,22-,23-,24+,26-,27-,29-,31+,32-,33+/m1/s1",CC(=O)O[C@@H]1[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@H]2[C@@H](OC(C)=O)[C@]3(C)C[C@H]4C(=O)C(C)(C)C[C@H]4[C@]3(C)[C@@H](OC(C)=O)[C@]21O,C33H42O10,pos_2MMg,598.277797544,YGNZHEOASXYUAE,Terpenoids,Diterpenoids,Paraliane diterpenoids,Euphorbia segetalis,825700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia segetalis'],7,0,7.0
4325,3604,-1,,,,0.0,MS1_match,RWZRNGOVGSXIQY-PIYRXYHCSA-N,"InChI=1S/C33H42O10/c1-18-14-25-29(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,43-23(6)36)30(41-22(5)35)19(2)15-27(37)32(7,8)28(38)16-26(18)40-21(4)34/h9-15,20,25-27,29-30,37H,16-17H2,1-8H3/b18-14+,19-15+/t20-,25+,26-,27+,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1/C(C)=C/[C@H](O)C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O10,pos_2MMg,598.277797544,RWZRNGOVGSXIQY,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
4326,3604,-1,,,,0.0,MS1_match,QPKPYRGCZAZZJU-STMFRTFUSA-N,"InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14+/t18-,19+,25-,27-,28+,29+,30-,33-/m1/s1",C=C1[C@H](OC(C)=O)CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H42O10,pos_2MMg,598.277797544,QPKPYRGCZAZZJU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
4327,3604,-1,,,,0.0,MS1_match,QPKPYRGCZAZZJU-STMFRTFUSA-N,"InChI=1S/C33H42O10/c1-18-14-15-32(7,8)26(37)16-25(40-21(4)34)20(3)29(41-22(5)35)27-28(43-31(38)24-12-10-9-11-13-24)19(2)17-33(27,39)30(18)42-23(6)36/h9-15,18-19,25,27-30,39H,3,16-17H2,1-2,4-8H3/b15-14+/t18-,19+,25-,27-,28+,29+,30-,33-/m1/s1",C=C1[C@H](OC(C)=O)CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H42O10,pos_2MMg,598.277797544,QPKPYRGCZAZZJU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],7,0,7.0
4328,3604,-1,,,,0.0,MS1_match,IEQTVHJLWRGNIY-ANWQMKQLSA-N,"InChI=1S/C33H42O10/c1-17-14-32(39)23(24(17)42-26(37)21-12-10-9-11-13-21)25(40-18(2)34)30(7)16-33(43-20(4)36)22(15-29(5,6)27(33)38)31(30,8)28(32)41-19(3)35/h9-13,17,22-25,28,39H,14-16H2,1-8H3/t17-,22-,23+,24-,25+,28+,30-,31+,32+,33-/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC(C)(C)C(=O)[C@]3(OC(C)=O)C[C@@]12C,C33H42O10,pos_2MMg,598.277797544,IEQTVHJLWRGNIY,Terpenoids,Diterpenoids,Paraliane diterpenoids,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
4329,3604,-1,,,,0.0,MS1_match,IEQTVHJLWRGNIY-ANWQMKQLSA-N,"InChI=1S/C33H42O10/c1-17-14-32(39)23(24(17)42-26(37)21-12-10-9-11-13-21)25(40-18(2)34)30(7)16-33(43-20(4)36)22(15-29(5,6)27(33)38)31(30,8)28(32)41-19(3)35/h9-13,17,22-25,28,39H,14-16H2,1-8H3/t17-,22-,23+,24-,25+,28+,30-,31+,32+,33-/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC(C)(C)C(=O)[C@]3(OC(C)=O)C[C@@]12C,C33H42O10,pos_2MMg,598.277797544,IEQTVHJLWRGNIY,Terpenoids,Diterpenoids,Paraliane diterpenoids,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],7,0,7.0
4330,3601,1066,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.81876874,ISDB,YSANDRPLTYFXMF-LYGKUDJVSA-N,"InChI=1S/C20H30O2/c1-14-6-10-20-13-18(20,2)8-4-5-16(20)19(14,3)9-7-15-11-17(21)22-12-15/h11,14,16H,4-10,12-13H2,1-3H3/t14-,16-,18+,19+,20+/m1/s1",C[C@@H]1CC[C@@]23C[C@]2(C)CCC[C@@H]3[C@@]1(C)CCC1=CC(=O)OC1,C20H30O2,,302.2245802,YSANDRPLTYFXMF,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Cystodytes,296453.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polycitoridae'],['Unknown'],['Cystodytes'],['Unknown'],2,3,6.7750749588012695
4331,3599,-1,,,,0.71510535,ISDB,GBZDALHFANHWOF-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",CCCCCCCCCCCCCCCCC(C)C(=O)O,C19H38O2,,298.287180456,GBZDALHFANHWOF,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Agelas,268502.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Agelasida'],['Agelasidae'],['Unknown'],['Agelas'],['Unknown'],2,0,4.860421419143677
4332,3599,-1,,,,0.71510535,ISDB,GBZDALHFANHWOF-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",CCCCCCCCCCCCCCCCC(C)C(=O)O,C19H38O2,,298.287180456,GBZDALHFANHWOF,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Petrosia pellasarca,4939081.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Petrosia'],['Petrosia pellasarca'],2,0,4.860421419143677
4333,3599,-1,,,,0.71510535,ISDB,GBZDALHFANHWOF-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",CCCCCCCCCCCCCCCCC(C)C(=O)O,C19H38O2,,298.287180456,GBZDALHFANHWOF,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Pipestela terpenensis,4116410.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Pipestela'],['Pipestela terpenensis'],2,0,4.860421419143677
4334,3599,-1,,,,0.71510535,ISDB,GBZDALHFANHWOF-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",CCCCCCCCCCCCCCCCC(C)C(=O)O,C19H38O2,,298.287180456,GBZDALHFANHWOF,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tectitethya crypta,2839005.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tethyida'],['Tethyidae'],['Unknown'],['Tectitethya'],['Tectitethya crypta'],2,0,4.860421419143677
4335,3599,-1,,,,0.71510535,ISDB,GBZDALHFANHWOF-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",CCCCCCCCCCCCCCCCC(C)C(=O)O,C19H38O2,,298.287180456,GBZDALHFANHWOF,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Cervicornia cuspidifera,101284.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Clionaidae'],['Unknown'],['Cervicornia'],['Cervicornia cuspidifera'],2,0,4.860421419143677
4336,3599,-1,,,,0.71510535,ISDB,GBZDALHFANHWOF-UHFFFAOYSA-N,"InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(20)21/h18H,3-17H2,1-2H3,(H,20,21)",CCCCCCCCCCCCCCCCC(C)C(=O)O,C19H38O2,,298.287180456,GBZDALHFANHWOF,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Erylus formosus,2840532.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Geodiidae'],['Unknown'],['Erylus'],['Erylus formosus'],2,0,4.860421419143677
4337,3596,-1,,,,0.44450966,ISDB,ZTTWSILEGFVQPN-CQALACEOSA-N,"InChI=1S/C31H48O/c1-19(2)31-16-11-20(3)21(4)27(31)24-9-10-26-28(6)14-13-25(32)22(5)23(28)12-15-30(26,8)29(24,7)17-18-31/h9,20-21,23,25-27,32H,1,5,10-18H2,2-4,6-8H3/t20-,21+,23+,25+,26-,27+,28+,29-,30-,31-/m1/s1",C=C1[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C(=C)C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,C31H48O,,436.370516156,ZTTWSILEGFVQPN,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Alstonia scholaris,749453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Alstonieae'],['Alstonia'],['Alstonia scholaris'],1,0,2.7780386209487915
4338,3595,-1,,,,0.0,MS1_match,TVYPZWCCOPYBIW-BXWZCCPKSA-N,"InChI=1S/C33H53NO7/c1-17-5-8-24(34-15-17)18(2)27-25(36)14-23-21-7-6-19-13-20(9-11-32(19,3)22(21)10-12-33(23,27)4)40-31-30(39)29(38)28(37)26(16-35)41-31/h6,17-18,20-23,25-31,35-39H,5,7-16H2,1-4H3/t17-,18+,20-,21+,22-,23-,25+,26+,27-,28+,29-,30+,31+,32-,33-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C33H53NO7,pos_1_1proton,575.382203036,TVYPZWCCOPYBIW,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,0,8.0
4339,3595,-1,,,,0.0,MS1_match,XMLLJGHZPHTUKK-XARICSCJSA-N,"InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23?,24+,25-,26?,27-,28+,29-,30-,31+,32+,33-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)C1[C@@H]2C,C33H53NO7,pos_1_1proton,575.382203036,XMLLJGHZPHTUKK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum umbelliferum,3869820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum umbelliferum'],8,0,8.0
4340,3594,-1,,,,0.0,MS1_match,ZCZSIDMEHXZRLG-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3",CCCCCCCOC(C)=O,C9H18O2,pos_2MH,158.130679816,ZCZSIDMEHXZRLG,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4341,3594,-1,,,,0.0,MS1_match,XZOYHFBNQHPJRQ-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",CC(C)CCCCCC(=O)O,C9H18O2,pos_2MH,158.130679816,XZOYHFBNQHPJRQ,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
4342,3594,-1,,,,0.0,MS1_match,GOKKOFHHJFGZHW-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3",CCCCCCOC(=O)CC,C9H18O2,pos_2MH,158.130679816,GOKKOFHHJFGZHW,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4343,3594,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MH,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4344,3590,-1,,,,0.66963565,ISDB,YZLWTTACHKQVGG-AGMWBROTSA-N,"InChI=1S/C19H30O3/c1-17-8-5-13-12(16(17)22-10-9-17)11-14(20)15-18(13,2)6-4-7-19(15,3)21/h11,13-16,20-21H,4-10H2,1-3H3/t13-,14+,15+,16-,17+,18+,19-/m0/s1",C[C@@]12CCO[C@H]1C1=C[C@@H](O)[C@@H]3[C@](C)(CCC[C@]3(C)O)[C@H]1CC2,C19H30O3,,306.21949482,YZLWTTACHKQVGG,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Xylaria longipes,448692.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Xylaria'],['Xylaria longipes'],1,0,3.6785426139831543
4345,3587,-1,,,,0.51637745,ISDB,KMFUNEOFNWQPNI-AWEZNQCLSA-N,"InChI=1S/C20H21NO6/c1-24-15-4-3-12(18(20(22)23)19(15)25-2)7-14-13-9-17-16(26-10-27-17)8-11(13)5-6-21-14/h3-4,8-9,14,21H,5-7,10H2,1-2H3,(H,22,23)/t14-/m0/s1",COc1ccc(C[C@@H]2NCCc3cc4c(cc32)OCO4)c(C(=O)O)c1OC,C20H21NO6,,371.136887392,KMFUNEOFNWQPNI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],1,0,3.065509796142578
4346,3585,-1,,,,0.2546896,ISDB,MWQCBVWCBTUPDQ-HZJYTTRNSA-N,"InChI=1S/C22H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,24H,2-5,8,11-21H2,1H3,(H,23,25)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)NCCO,C22H41NO2,,351.313729552,MWQCBVWCBTUPDQ,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.0187584161758423
4347,3584,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
4348,3584,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,pos_1_1proton,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
4349,3583,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-LSSWKVNRSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3-/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia dubia,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
4350,3583,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-TVKJYDDYSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/t10-,12-,13+,14-,15-/m1/s1",O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia velutina,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
4351,3583,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-LSSWKVNRSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3-/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia dubia,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
4352,3583,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-TVKJYDDYSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/t10-,12-,13+,14-,15-/m1/s1",O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia velutina,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
4353,3581,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6567966,ISDB,,,,,,,VVPNVCFMXIBGMP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6271862983703613
4354,3580,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HRGUSFBJBOKSML-UHFFFAOYSA-N,"InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O,C17H14O7,pos_1_1proton,330.073952788,HRGUSFBJBOKSML,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Elymus repens,218255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Elymus'],['Elymus repens'],7,3,8.5
4355,3579,-1,,,,0.5680241,ISDB,DBHKHNGBVGWQJE-USWSLJGRSA-N,"InChI=1S/C23H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24/h6-7,9-10,22,25H,2-5,8,11-21,24H2,1H3,(H,27,28)/b7-6-,10-9-/t22-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN,C23H44NO7P,,477.285539378,DBHKHNGBVGWQJE,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,0,6.272096395492554
4356,3577,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OIUNULHHOJRJBI-UHFFFAOYSA-N,"InChI=1S/C38H34N4O6/c43-27-7-1-23(2-8-27)5-15-33(47)39-19-17-25-21-41-29-11-13-31(45)37(35(25)29)38-32(46)14-12-30-36(38)26(22-42-30)18-20-40-34(48)16-6-24-3-9-28(44)10-4-24/h1-16,21-22,41-46H,17-20H2,(H,39,47)(H,40,48)",O=C(C=Cc1ccc(O)cc1)NCCc1c[nH]c2ccc(O)c(-c3c(O)ccc4[nH]cc(CCNC(=O)C=Cc5ccc(O)cc5)c34)c12,C38H34N4O6,pos_1_1proton1methanol,642.247834808,OIUNULHHOJRJBI,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
4357,3576,-1,,,,0.0,MS1_match,ZSZIYSIYMPMVLO-YABRITBBSA-N,"InChI=1S/C27H39NO3/c1-15-11-24-27(31-24)17(3)25-22(28(27)14-15)13-21-20(23(30)9-10-26(21,25)4)8-6-18-12-19(29)7-5-16(18)2/h5,7,12,15,17,20-25,29-30H,6,8-11,13-14H2,1-4H3/t15-,17-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1",Cc1ccc(O)cc1CC[C@@H]1[C@@H](O)CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)N1C[C@@H](C)C[C@H]2O[C@]21[C@H]3C,C27H39NO3,pos_1_minus1proton1calcium,425.292994108,ZSZIYSIYMPMVLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum campaniforme,311874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum campanulatum'],8,0,8.0
4358,3575,867,Terpenoids,Sesquiterpenoids,Oxo fatty acids,0.3173811,ISDB,GGEHGIPZDUKHHM-UHFFFAOYSA-N,"InChI=1S/C17H26O5/c1-9-12-11(22-15(9)19)8-16(3)6-5-7-17(4,20)14(16)13(12)21-10(2)18/h9,11-14,20H,5-8H2,1-4H3",CC(=O)OC1C2C(CC3(C)CCCC(C)(O)C13)OC(=O)C2C,C17H26O5,,310.178023932,GGEHGIPZDUKHHM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Gonospermum ferulaceum,748953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum ferulaceum'],1,2,3.2695244550704956
4359,3574,-1,,,,0.2627102,ISDB,PYKGGRDIMOOZKF-PKCZXNRQSA-N,"InChI=1S/C29H50O2/c1-7-20(27(3,4)31)9-8-19(2)24-12-13-25-23-11-10-21-18-22(30)14-16-28(21,5)26(23)15-17-29(24,25)6/h10,19-20,22-26,30-31H,7-9,11-18H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O,C29H50O2,,430.3810808399999,PYKGGRDIMOOZKF,Terpenoids,Steroids,Cholestane steroids,Kalanchoe pinnata,726046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Kalanchoe'],['Kalanchoe pinnata'],1,0,2.0508408546447754
4360,3568,200,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12,C15H10O6,pos_1_1sodium1acetonitrile,286.04773804,JVXZRQGOGOXCEC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,3,9.5
4361,3568,200,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,JVXZRQGOGOXCEC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c12,C15H10O6,pos_1_1sodium1acetonitrile,286.04773804,JVXZRQGOGOXCEC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stenophylla,5800650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stenophylla'],8,3,9.5
4362,3568,200,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IQPNAANSBPBGFQ-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1sodium1acetonitrile,286.04773804,IQPNAANSBPBGFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
4363,3568,200,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,IQPNAANSBPBGFQ-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1sodium1acetonitrile,286.04773804,IQPNAANSBPBGFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,3,9.5
4364,3567,203,,,,0.47590673,ISDB,,,,,,,XTLZPKXADBEMFF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9036269187927246
4365,3564,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,pos_1_1proton1ammonium,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
4366,3561,57,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.40312088,ISDB,OMAFIMGHHMHANV-AWEZNQCLSA-N,"InChI=1S/C21H23NO7/c1-27-16-7-5-12-13(9-15(16)24)14(22-18(25)10-23)6-4-11-8-17(28-2)20(26)21(29-3)19(11)12/h5,7-9,14,23,26H,4,6,10H2,1-3H3,(H,22,25)/t14-/m0/s1",COc1cc2c(c(OC)c1O)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CO)CC2,C21H23NO7,,401.147452076,OMAFIMGHHMHANV,Alkaloids,Tyrosine alkaloids,Phenethylisoquinoline alkaloids,Gloriosa superba,82472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Colchicaceae'],['Unknown'],['Gloriosa'],['Gloriosa superba'],1,2,3.612483501434326
4367,3559,-1,,,,0.21319391,ISDB,WTYNCKUPEBKPHK-UHFFFAOYSA-N,"InChI=1S/C10H20N2O4/c1-3-6(2)5-12-9(14)8(13)4-7(11)10(15)16/h6-8,13H,3-5,11H2,1-2H3,(H,12,14)(H,15,16)",CCC(C)CNC(=O)C(O)CC(N)C(=O)O,C10H20N2O4,,232.14230712,WTYNCKUPEBKPHK,Amino acids and Peptides,Small peptides,Dipeptides,Hemerocallis fulva,62294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asphodelaceae'],['Unknown'],['Hemerocallis'],['Hemerocallis fulva'],4,0,4.8527756333351135
4368,3557,44,Amino acids and Peptides,Small peptides,Aminoacids,0.76231045,ISDB,GSDBGCKBBJVPNC-SCSAIBSYSA-N,"InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m1/s1",N=C(N)NCCOP(=O)(O)OC[C@@H](N)C(=O)O,C6H15N4O6P,,270.07292083000004,GSDBGCKBBJVPNC,Amino acids and Peptides,Small peptides,Aminoacids,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,3,4.549241781234741
4369,3557,44,Amino acids and Peptides,Small peptides,Aminoacids,0.76231045,ISDB,GSDBGCKBBJVPNC-UHFFFAOYSA-N,"InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)",NC(N)=NCCOP(=O)(O)OCC(N)C(=O)O,C6H15N4O6P,,270.07292083000004,GSDBGCKBBJVPNC,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],0,3,4.549241781234741
4370,3555,206,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,LHQDZANQXMRHIV-XGHQBKJUSA-N,"InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m0/s1",COC[C@@H]1Cc2cc3c(c(OC)c2[C@H](c2ccc(OC)c(OC)c2)[C@H]1COC)OCO3,C24H30O7,pos_1_minus1proton2sodium,430.1991532999999,LHQDZANQXMRHIV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,6.5
4371,3555,206,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,LHQDZANQXMRHIV-XGHQBKJUSA-N,"InChI=1S/C24H30O7/c1-25-11-16-8-15-10-20-23(31-13-30-20)24(29-5)22(15)21(17(16)12-26-2)14-6-7-18(27-3)19(9-14)28-4/h6-7,9-10,16-17,21H,8,11-13H2,1-5H3/t16-,17-,21+/m0/s1",COC[C@@H]1Cc2cc3c(c(OC)c2[C@H](c2ccc(OC)c(OC)c2)[C@H]1COC)OCO3,C24H30O7,pos_1_minus1proton2sodium,430.1991532999999,LHQDZANQXMRHIV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,6.5
4372,3551,614,Fatty acids,Fatty esters,Wax monoesters,0.65177655,ISDB,HHZIOLLKZWLCOX-UHFFFAOYSA-N,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h9-10H,3-8,11-18H2,1-2H3",CCCCCCCC=CCCCCCCCCC(=O)OC,C19H36O2,,296.271530392,HHZIOLLKZWLCOX,Fatty acids,Fatty esters,Wax monoesters,Andrographis paniculata,275698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Andrographideae'],['Andrographis'],['Andrographis paniculata'],0,3,4.1071062088012695
4373,3551,614,Fatty acids,Fatty esters,Wax monoesters,0.65177655,ISDB,HHZIOLLKZWLCOX-MDZDMXLPSA-N,"InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h9-10H,3-8,11-18H2,1-2H3/b10-9+",CCCCCCC/C=C/CCCCCCCCC(=O)OC,C19H36O2,,296.271530392,HHZIOLLKZWLCOX,Fatty acids,Fatty esters,Wax monoesters,Valeriana officinalis,393341.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Caprifoliaceae'],['Unknown'],['Valeriana'],['Valeriana officinalis'],0,3,4.1071062088012695
4374,3550,-1,,,,0.7296709,ISDB,,,,,,,WYIMORDZGCUBAA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.9186835289001465
4375,3548,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7013714,ISDB,BNOTVQGTWXPTHW-VUDGCMKMSA-N,"InChI=1S/C16H18O8/c1-21-12-8-10(4-6-11(12)17)5-7-14(18)24-13(16(20)23-3)9-15(19)22-2/h4-8,13,17H,9H2,1-3H3/b7-5+/t13-/m1/s1",COC(=O)C[C@@H](OC(=O)/C=C/c1ccc(O)c(OC)c1)C(=O)OC,C16H18O8,,338.100167536,BNOTVQGTWXPTHW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,3,8.305485486984253
4376,3546,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7114336,ISDB,KIHAGWUUUHJRMS-JOCHJYFZSA-N,"InChI=1S/C23H48NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h22,25H,2-21,24H2,1H3,(H,27,28)/t22-/m1/s1",CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN,C23H48NO7P,,481.316839506,KIHAGWUUUHJRMS,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],0,3,4.345734357833862
4377,3544,-1,,,,0.0,MS1_match,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",O=C(O)CCCCCCCC(=O)O,C9H16O4,pos_2MHNH3,188.104858992,BDJRBEYXGGNYIS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4378,3544,-1,,,,0.0,MS1_match,KYWLAHNPWLJLDJ-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c1-5-12-9(11)6(2)7(3)13-8(4)10/h6-7H,5H2,1-4H3",CCOC(=O)C(C)C(C)OC(C)=O,C9H16O4,pos_2MHNH3,188.104858992,KYWLAHNPWLJLDJ,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4379,3541,-1,,,,0.29451177,ISDB,MNKDEUFNXFPSTM-JLXBFWJWSA-N,"InChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)23-22/h14-15,19-20,22H,2-13H2,1H3/b15-14+,17-16+",CCCCCCCCCCCCC/C=C/C(O)=C(\O)C(=O)OO,C18H32O5,,328.224974124,MNKDEUFNXFPSTM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,8.178047060966492
4380,3541,-1,,,,0.29451177,ISDB,MNKDEUFNXFPSTM-JLXBFWJWSA-N,"InChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)23-22/h14-15,19-20,22H,2-13H2,1H3/b15-14+,17-16+",CCCCCCCCCCCCC/C=C/C(O)=C(\O)C(=O)OO,C18H32O5,,328.224974124,MNKDEUFNXFPSTM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,8.178047060966492
4381,3540,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
4382,3539,28,Shikimates and Phenylpropanoids,Cyclic polyketides,Furans,0.36635688,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.96542751789093
4383,3538,-1,,,,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MNa,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4384,3538,-1,,,,0.0,MS1_match,GOKKOFHHJFGZHW-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3",CCCCCCOC(=O)CC,C9H18O2,pos_2MNa,158.130679816,GOKKOFHHJFGZHW,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4385,3538,-1,,,,0.0,MS1_match,ZCZSIDMEHXZRLG-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3",CCCCCCCOC(C)=O,C9H18O2,pos_2MNa,158.130679816,ZCZSIDMEHXZRLG,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4386,3538,-1,,,,0.0,MS1_match,XZOYHFBNQHPJRQ-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-8(2)6-4-3-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)",CC(C)CCCCCC(=O)O,C9H18O2,pos_2MNa,158.130679816,XZOYHFBNQHPJRQ,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
4387,3536,78,Amino acids and Peptides,Small peptides,Fatty alcohols,0.0,MS1_match,XMUJIPOFTAHSOK-UHFFFAOYSA-N,"InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3",CCCCCCCCCC(C)O,C11H24O,pos_1_minus1proton2sodium,172.182715388,XMUJIPOFTAHSOK,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
4388,3535,721,Polyketides,Glycerolipids,Wax monoesters,0.45498985,ISDB,DXHNHQIKLTZOQX-UHFFFAOYSA-N,"InChI=1S/C9H15NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h9H,1-7H2",C=C(CC1CCCCC1)[N+](=O)[O-],C9H15NO2,,169.11027872,DXHNHQIKLTZOQX,,,,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],1,0,2.8199594020843506
4389,3534,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7777703,ISDB,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],5,3,9.61108112335205
4390,3534,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7777703,ISDB,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],5,3,9.61108112335205
4391,3534,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7777703,ISDB,YOMSJEATGXXYPX-UHFFFAOYSA-N,"InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3",C=Cc1ccc(O)c(OC)c1,C9H10O2,,150.06807956,YOMSJEATGXXYPX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],5,3,9.61108112335205
4392,3533,-1,,,,0.3487247,ISDB,OMYRBCZBTQDJHF-RFYAXJIXSA-N,"InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H31NO2,,293.235479232,OMYRBCZBTQDJHF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],1,0,2.394898772239685
4393,3533,-1,,,,0.3487247,ISDB,OMYRBCZBTQDJHF-RFYAXJIXSA-N,"InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H31NO2,,293.235479232,OMYRBCZBTQDJHF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],1,0,2.394898772239685
4394,3529,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XYYVYLMBEZUESM-CMKMFDCUSA-N,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1",COc1ccc2c3c1O[C@H]1C(=O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314,C18H19NO3,pos_1_1proton,297.136493468,XYYVYLMBEZUESM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,6.0
4395,3529,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZKLXUUYLEHCAMF-UUWFMWQGSA-N,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1",COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,C18H19NO3,pos_1_1proton,297.136493468,ZKLXUUYLEHCAMF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,6.0
4396,3529,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZKLXUUYLEHCAMF-UUWFMWQGSA-N,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1",COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,C18H19NO3,pos_1_1proton,297.136493468,ZKLXUUYLEHCAMF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,0,6.0
4397,3529,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZKLXUUYLEHCAMF-UUWFMWQGSA-N,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1",COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,C18H19NO3,pos_1_1proton,297.136493468,ZKLXUUYLEHCAMF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pinnatifidum,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,0,6.0
4398,3529,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZKLXUUYLEHCAMF-UUWFMWQGSA-N,"InChI=1S/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3/t12-,17+,18+/m1/s1",COC1=CC=C2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5,C18H19NO3,pos_1_1proton,297.136493468,ZKLXUUYLEHCAMF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,6.0
4399,3529,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,QKQQEIVDLRUZRP-JBBXEZCESA-N,"InChI=1S/C18H19NO3/c1-20-13-5-3-10-9-12-11-4-6-14(21-2)17-18(11,7-8-19-12)15(10)16(13)22-17/h3-6,12,17,19H,7-9H2,1-2H3/t12-,17+,18+/m0/s1",COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3)[C@@H]1O5,C18H19NO3,pos_1_1proton,297.136493468,QKQQEIVDLRUZRP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,0,6.0
4400,3529,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZTYQCFCSVKJTSV-GFCCVEGCSA-N,"InChI=1S/C18H19NO3/c1-19-7-6-11-9-14(22-2)18(21)17-15(11)12(19)8-10-4-3-5-13(20)16(10)17/h3-5,9,12,20-21H,6-8H2,1-2H3/t12-/m1/s1",COc1cc2c3c(c1O)-c1c(O)cccc1C[C@H]3N(C)CC2,C18H19NO3,pos_1_1proton,297.136493468,ZTYQCFCSVKJTSV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,0,6.0
4401,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Mentha spicata,27827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha spicata'],5,3,8.888969421386719
4402,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-NXEZZACHSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Origanum syriacum,731839.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum syriacum'],5,3,8.888969421386719
4403,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-NXEZZACHSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lepechinia floribunda,5265177.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Lepechinia'],['Lepechinia floribunda'],5,3,8.888969421386719
4404,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lippia multiflora,6089319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lippia'],['Lippia multiflora'],5,3,8.888969421386719
4405,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thymus willkommii,6084080.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus willkommii'],5,3,8.888969421386719
4406,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cantinoa mutabilis,1024295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Cantinoa'],['Cantinoa mutabilis'],5,3,8.888969421386719
4407,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Mentha,55626.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Unknown'],5,3,8.888969421386719
4408,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lavandula latifolia,355951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula latifolia'],5,3,8.888969421386719
4409,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Agastache rugosa,485528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Agastache'],['Agastache rugosa'],5,3,8.888969421386719
4410,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Aloysia citriodora,862761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Aloysia'],['Aloysia citrodora'],5,3,8.888969421386719
4411,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Aloysia triphylla,714151.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Aloysia'],['Aloysia triphylla'],5,3,8.888969421386719
4412,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Aloysia citrodora,862761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Aloysia'],['Aloysia citrodora'],5,3,8.888969421386719
4413,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Salvia vermifolia,6083670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia vermifolia'],5,3,8.888969421386719
4414,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Mentha piperita,6082512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha x piperita'],5,3,8.888969421386719
4415,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Hyptis mutabilis,1024295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Cantinoa'],['Cantinoa mutabilis'],5,3,8.888969421386719
4416,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Micromeria sinaica,596680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria sinaica'],5,3,8.888969421386719
4417,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Origanum dubium,61897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum majorana'],5,3,8.888969421386719
4418,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Origanum majorana,61897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum majorana'],5,3,8.888969421386719
4419,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Mentha gentilis,531851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha arvensis'],5,3,8.888969421386719
4420,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Mentha arvensis,531851.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha arvensis'],5,3,8.888969421386719
4421,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Micromeria maderensis,7054185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Micromeria'],['Micromeria maderensis'],5,3,8.888969421386719
4422,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Vitex negundo,614659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex negundo'],5,3,8.888969421386719
4423,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-NXEZZACHSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Perovskia atriplicifolia,61904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia yangii'],5,3,8.888969421386719
4424,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Satureja wiedemanniana,6083784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Satureja'],['Satureja wiedemanniana'],5,3,8.888969421386719
4425,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Melissa officinalis,355945.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Melissa'],['Melissa officinalis'],5,3,8.888969421386719
4426,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Origanum vulgare,305918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum vulgare'],5,3,8.888969421386719
4427,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3",C=C(C)C1CC=C(C)C(O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],5,3,8.888969421386719
4428,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Hyptis emoryi,879749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Condea'],['Condea emoryi'],5,3,8.888969421386719
4429,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Lavandula stoechas,355949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula stoechas'],5,3,8.888969421386719
4430,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-NXEZZACHSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10-/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Clinopodium congestum,6082124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Clinopodium'],['Clinopodium congestum'],5,3,8.888969421386719
4431,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thymus longiflorus,5801291.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus longiflorus'],5,3,8.888969421386719
4432,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Teucrium polium,652402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Teucrium'],['Teucrium polium'],5,3,8.888969421386719
4433,3528,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.59724236,ISDB,BAVONGHXFVOKBV-ZJUUUORDSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3/t9-,10+/m1/s1",C=C(C)[C@@H]1CC=C(C)[C@@H](O)C1,C10H16O,,152.120115132,BAVONGHXFVOKBV,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Thymus funkii,5801282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Thymus'],['Thymus funkii'],5,3,8.888969421386719
4434,3526,-1,,,,0.0,MS1_match,ZHADMZSKNJUERU-BWLZIVRNSA-N,"InChI=1S/C19H30O3/c1-3-4-5-6-8-11-14-17-22-18-15-12-9-7-10-13-16-19(20)21-2/h4-5,8,11,14-15,17-18H,3,6-7,9-10,12-13,16H2,1-2H3/b5-4-,11-8-,17-14+,18-15+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)OC,C19H30O3,pos_1_1proton1methanol,306.21949482,ZHADMZSKNJUERU,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4435,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,10.718533754348755
4436,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,10.718533754348755
4437,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,3,10.718533754348755
4438,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,10.718533754348755
4439,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,3,10.718533754348755
4440,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,3,10.718533754348755
4441,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,3,10.718533754348755
4442,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,10.718533754348755
4443,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,10.718533754348755
4444,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,10.718533754348755
4445,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-WWRXHXRLSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(=C)[C@@H](O)C[C@H]12,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,10.718533754348755
4446,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,10.718533754348755
4447,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,10.718533754348755
4448,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,10.718533754348755
4449,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,3,10.718533754348755
4450,3524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.55463344,ISDB,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,10.718533754348755
4451,3523,-1,,,,0.7937211,ISDB,DYCRVGQTOMVHKX-GFAGPORBSA-N,"InChI=1S/C19H30O3/c1-17-8-4-9-19(3,21)14(17)6-5-12-13(17)7-10-18(2)15(20)11-22-16(12)18/h5,13-16,20-21H,4,6-11H2,1-3H3/t13-,14+,15-,16-,17+,18+,19+/m0/s1",C[C@]12CCC[C@@](C)(O)[C@@H]1CC=C1[C@@H]2CC[C@]2(C)[C@@H](O)CO[C@@H]12,C19H30O3,,306.21949482,DYCRVGQTOMVHKX,Terpenoids,Diterpenoids,,Xylaria longipes,448692.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Xylariaceae'],['Unknown'],['Xylaria'],['Xylaria longipes'],1,0,4.17488431930542
4452,3522,-1,,,,0.0,MS1_match,CCMIHRBRNXFXLT-VBKZILBWSA-N,"InChI=1S/C27H24O10/c1-34-17-6-11(4-5-15(17)30)20-14(10-28)22-25(33)23-16(31)7-12(29)8-18(23)37-26(22)13-9-19(35-2)24(32)27(36-3)21(13)20/h4-9,14,20,28-32H,10H2,1-3H3/t14-,20+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)-c3oc4cc(O)cc(O)c4c(=O)c3[C@H]2CO)ccc1O,C27H24O10,pos_1_1proton,508.136946968,CCMIHRBRNXFXLT,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,0,6.0
4453,3520,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.663603,ISDB,DZGWFCGJZKJUFP-UHFFFAOYSA-N,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",NCCc1ccc(O)cc1,C8H11NO,,137.084063972,DZGWFCGJZKJUFP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,0,10.654412031173706
4454,3520,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.663603,ISDB,DZGWFCGJZKJUFP-UHFFFAOYSA-N,"InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2",NCCc1ccc(O)cc1,C8H11NO,,137.084063972,DZGWFCGJZKJUFP,Alkaloids,Tyrosine alkaloids,Phenylethylamines,Solanum campaniforme,311874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum campanulatum'],8,0,10.654412031173706
4455,3519,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.39471558,ISDB,RPYOBVFUJCZQDA-MUFCHLESSA-N,"InChI=1S/C19H21NO5/c1-24-17-11-13(3-9-16(17)22)4-10-19(23)20-12-18(25-2)14-5-7-15(21)8-6-14/h3-11,18,21-22H,12H2,1-2H3,(H,20,23)/b10-4+/t18-/m0/s1",COc1cc(/C=C/C(=O)NC[C@H](OC)c2ccc(O)cc2)ccc1O,C19H21NO5,,343.141972772,RPYOBVFUJCZQDA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,10.578862309455872
4456,3517,280,,,,0.66629183,ISDB,,,,,,,AOMUHOFOVNGZAN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6651673316955566
4457,3515,-1,,,,0.5397554,ISDB,KVRQQFBSAHPTAB-ATLLRHMBSA-N,"InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5-,6-,7-,8+,9-,11+/m1/s1",C=C(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO,C11H18O9,,294.095082156,KVRQQFBSAHPTAB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Tulipa gesneriana,878707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Liliaceae'],['Unknown'],['Tulipa'],['Tulipa gesneriana'],4,0,6.159021615982056
4458,3514,678,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.6796319,ISDB,PQBKKPXFZHPMRG-ZDUSSCGKSA-N,"InChI=1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-14(21)16(23-2)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1",COc1cc2c(cc1O)-c1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3,C19H21NO4,,327.147058152,PQBKKPXFZHPMRG,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,3,10.218527555465698
4459,3512,-1,,,,0.0,MS1_match,XCAKPWXDUSEAEH-CLGLNXEMSA-N,"InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO2,pos_1_1proton,411.313729552,XCAKPWXDUSEAEH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,0,8.0
4460,3512,-1,,,,0.0,MS1_match,XCAKPWXDUSEAEH-CLGLNXEMSA-N,"InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO2,pos_1_1proton,411.313729552,XCAKPWXDUSEAEH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum procumbens,373150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum procumbens'],8,0,8.0
4461,3509,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_1proton,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,0,8.0
4462,3509,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_1proton,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,0,8.0
4463,3509,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-ASBKZRTJSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_1proton,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
4464,3508,-1,,,,0.0,MS1_match,HCMCYDZSIBHFMM-QPCXLFDESA-N,"InChI=1S/C33H40O20/c34-7-16-23(41)27(45)31(53-33-29(47)26(44)22(40)18(9-36)52-33)30(49-16)20-15(50-32-28(46)25(43)21(39)17(8-35)51-32)6-14-19(24(20)42)12(38)5-13(48-14)10-1-3-11(37)4-2-10/h1-6,16-18,21-23,25-37,39-47H,7-9H2/t16-,17-,18-,21-,22-,23-,25+,26+,27+,28-,29-,30+,31-,32-,33+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C33H40O20,pos_1_1proton,756.21129368,HCMCYDZSIBHFMM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,0,8.0
4465,3507,-1,,,,0.32881388,ISDB,VJSCHQMOTSXAKB-YCRREMRBSA-N,"InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b9-3+",COc1cc(/C=C/C(=O)NCC(O)c2ccc(O)cc2)ccc1O,C18H19NO5,,329.126322708,VJSCHQMOTSXAKB,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,0,7.315255522727966
4466,3505,431,,,,0.24483736,ISDB,,,,,,,KACDZDULGKPXHT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9793494343757629
4467,3504,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6422232,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,10.06889271736145
4468,3504,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6422232,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,3,10.06889271736145
4469,3504,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6422232,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,3,10.06889271736145
4470,3504,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.6422232,ISDB,BXWMZVREXWPYKF-AWEZNQCLSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m0/s1",COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis balansae,6130292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis balansae'],6,3,10.06889271736145
4471,3502,600,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,0.529943,ISDB,ZXPPNUYENJSSMO-UHFFFAOYSA-N,"InChI=1S/C16H16N2O4/c19-14-8-11-3-6-18(13(11)9-15(14)20)5-2-10-1-4-17-12(7-10)16(21)22/h1-2,4-5,8-9,12,19-20H,3,6-7H2,(H,21,22)",O=C(O)C1CC(C=CN2CCc3cc(O)c(O)cc32)=CC=N1,C16H16N2O4,,300.111006992,ZXPPNUYENJSSMO,Alkaloids,Tyrosine alkaloids,Betalain alkaloids,Beta vulgaris,273185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Beta'],['Beta vulgaris'],4,3,7.619771957397461
4472,3501,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
4473,3501,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
4474,3501,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
4475,3501,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
4476,3501,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
4477,3501,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
4478,3501,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
4479,3501,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
4480,3501,-1,,,,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1sodium,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
4481,3501,-1,,,,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
4482,3500,-1,,,,0.0,MS1_match,RROCKISJMKXBMJ-KGJUQJEESA-N,"InChI=1S/C28H36O6/c1-15-13-21(33-23(30)16(15)2)26(5,31)19-9-12-27(32)18-14-22-28(34-22)10-6-7-20(29)25(28,4)17(18)8-11-24(19,27)3/h6-7,9,17-18,21-22,31-32H,8,10-14H2,1-5H3/t17-,18+,21-,22+,24+,25-,26+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@H]([C@](C)(O)C2=CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56CC=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,RROCKISJMKXBMJ,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,0,6.0
4483,3500,-1,,,,0.0,MS1_match,TZOSGGFUWXSGEZ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC(O)C4=CC=CC(=O)C4(C)C3CC(O)C12C,C28H36O6,pos_2MMg,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0
4484,3500,-1,,,,0.0,MS1_match,TZOSGGFUWXSGEZ-OWXVAMIPSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-22-12-26(14,2)33-13-16(22)18-9-8-17-15-10-21(29)19-6-5-7-23(30)28(19,4)20(15)11-24(31)27(17,18)3/h5-7,15-18,20-22,24,29,31H,1,8-13H2,2-4H3/t15-,16-,17-,18+,20-,21+,22+,24+,26+,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC=CC(=O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,TZOSGGFUWXSGEZ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
4485,3500,-1,,,,0.0,MS1_match,OBTZJKZMPCCZDQ-LDBQOHDTSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3/t15-,16-,17-,18+,19-,20+,22+,23+,25+,26-,27-,28+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45CC=CC(=O)[C@]5(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
4486,3500,-1,,,,0.0,MS1_match,OBTZJKZMPCCZDQ-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-14-24(31)33-20-12-25(14,2)32-13-16(20)18-8-7-17-15-10-23-28(34-23)9-5-6-21(29)27(28,4)19(15)11-22(30)26(17,18)3/h5-6,15-20,22-23,30H,1,7-13H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC4OC45CC=CC(=O)C5(C)C3CC(O)C12C,C28H36O6,pos_2MMg,468.251188872,OBTZJKZMPCCZDQ,Terpenoids,Steroids,Ergostane steroids,Datura,655485.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Unknown'],6,0,6.0
4487,3500,-1,,,,0.0,MS1_match,GPNLSEVBFOXDFF-GUBMYHPBSA-N,"InChI=1S/C28H36O6/c1-14-11-23(34-26(33)17(14)13-29)15(2)25-22(31)12-20-16-5-6-19-21(30)7-8-24(32)28(19,4)18(16)9-10-27(20,25)3/h6-8,16,18,20-23,29-31H,5,9-13H2,1-4H3/b25-15+/t16-,18+,20+,21+,22+,23-,27+,28-/m1/s1",CC1=C(CO)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,GPNLSEVBFOXDFF,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0
4488,3500,-1,,,,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0
4489,3500,-1,,,,0.0,MS1_match,KPKHBVCOOBDWBC-CERXFINOSA-N,"InChI=1S/C28H36O6/c1-14-16-6-5-7-25(30)33-22(16)10-18-17(14)11-24(29)28(4)20(18)8-9-21(28)19-13-32-27(3)12-23(19)34-26(31)15(27)2/h5-6,17-24,29H,2,7-13H2,1,3-4H3/t17-,18-,19+,20+,21-,22-,23-,24-,27-,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC(=O)CC=CC4=C(C)[C@H]3C[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,KPKHBVCOOBDWBC,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
4490,3500,-1,,,,0.0,MS1_match,GMKKYUOVUDHFQR-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(32)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27)24(34-28)23(22)31/h6-7,15-19,22-24,31H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)[C@@H]5O[C@@]56CC=CC(=O)[C@]6(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,GMKKYUOVUDHFQR,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0
4491,3500,-1,,,,0.0,MS1_match,PUTXXKMZSOGRTC-JPCSXPMHSA-N,"InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1",C[C@]12CC[C@H]3C(=C1[C@H]1C[C@H]([C@H]4C[C@]5(C)O[C@]5(C)[C@H](O)O4)[C@]2(O)C1)C[C@H]1O[C@]12CC=CC(=O)[C@]32C,C28H36O6,pos_2MMg,468.251188872,PUTXXKMZSOGRTC,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,0,6.0
4492,3500,-1,,,,0.0,MS1_match,PWJFVQWBQJRDTE-YHGGEORMSA-N,"InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@@]1(O)C[C@@](C)(O)[C@](C)(O)CO1,C28H36O6,pos_2MMg,468.251188872,PWJFVQWBQJRDTE,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0
4493,3500,-1,,,,0.0,MS1_match,XLPMOKAMOKNAMA-PJRMTJMLSA-N,"InChI=1S/C28H36O6/c1-14-12-22(33-24(31)15(14)2)27(5,32)19-7-6-17-16-13-23-28(34-23)21(30)9-8-20(29)26(28,4)18(16)10-11-25(17,19)3/h8-9,16-19,22-23,32H,6-7,10-13H2,1-5H3/t16-,17+,18+,19-,22+,23+,25-,26-,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,XLPMOKAMOKNAMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
4494,3500,-1,,,,0.0,MS1_match,YARITIRBZOEIHO-PLYJTDRGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,YARITIRBZOEIHO,Terpenoids,Steroids,Ergostane steroids,Exodeconus maritima,6091986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicandreae'],['Exodeconus'],['Exodeconus maritima'],6,0,6.0
4495,3500,-1,,,,0.0,MS1_match,WWSUYOFXTFJUAP-MCZVVEIFSA-N,"InChI=1S/C28H36O6/c1-16(18(3)30)12-24(34-15-29)17(2)19-7-9-21-20(13-19)8-10-23-22(21)14-26(32)28(33)11-5-6-25(31)27(23,28)4/h5-7,9,13,15-17,22-24,26,32-33H,8,10-12,14H2,1-4H3/t16-,17-,22-,23-,24-,26+,27-,28-/m0/s1",CC(=O)[C@@H](C)C[C@H](OC=O)[C@@H](C)c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,WWSUYOFXTFJUAP,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0
4496,3500,-1,,,,0.0,MS1_match,URTUKEVJVQZVBR-NNUOTDHBSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@]2(O)[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,URTUKEVJVQZVBR,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0
4497,3500,-1,,,,0.0,MS1_match,PUBHPXXGSLGYFG-PBUXGNFPSA-N,"InChI=1S/C28H36O6/c1-14-11-19(33-24(31)15(14)2)16(3)28-22(34-28)12-20-25(28,4)13-18(29)23-26(5)17(7-6-8-21(26)30)9-10-27(20,23)32/h6,8-9,16,18-20,22-23,29,32H,7,10-13H2,1-5H3/t16-,18+,19-,20-,22-,23-,25+,26-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@]4(O)CC=C5CC=CC(=O)[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)C1,C28H36O6,pos_2MMg,468.251188872,PUBHPXXGSLGYFG,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
4498,3500,-1,,,,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0
4499,3500,-1,,,,0.0,MS1_match,XPVLMCMZMJSPIB-LQUOAVCVSA-N,"InChI=1S/C28H36O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,19,21-23,31H,8-11,13H2,1-5H3/t14-,15+,16-,19?,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](C1=CC(=O)[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC=CC(=O)[C@]5(C)[C@H]3CC[C@]12C)C1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,XPVLMCMZMJSPIB,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0
4500,3500,-1,,,,0.0,MS1_match,NRUXYXNJOQUZGB-QWERHGEFSA-N,"InChI=1S/C28H36O6/c1-14-11-22(34-26(31)15(14)2)17(4)28(32)10-9-20-19-12-23(18-7-6-8-21(29)16(18)3)33-24(19)13-25(30)27(20,28)5/h6-8,17,19-20,22-24,29,32H,9-13H2,1-5H3/t17-,19+,20+,22-,23-,24-,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@]2(O)CC[C@H]3[C@@H]4C[C@H](c5cccc(O)c5C)O[C@@H]4CC(=O)[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,NRUXYXNJOQUZGB,Terpenoids,Steroids,Ergostane steroids,Jaborosa magellanica,5784104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa magellanica'],6,0,6.0
4501,3500,-1,,,,0.0,MS1_match,KGRNYSOJSLFYHU-WXKPGWNKSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19+,20+,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@@H]1[C@@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0
4502,3500,-1,,,,0.0,MS1_match,KGRNYSOJSLFYHU-AOTDGMSBSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21-,23+,24+,25-,26-,27+,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H](O)[C@@]2(O)CC=CC(=O)[C@]12C)[C@@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,KGRNYSOJSLFYHU,Terpenoids,Steroids,Ergostane steroids,Mandragora officinarum,232461.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Mandragoreae'],['Mandragora'],['Mandragora officinarum'],6,0,6.0
4503,3500,-1,,,,0.0,MS1_match,UPOXIHOCSBWLNQ-WIIKENQMSA-N,"InChI=1S/C28H36O6/c1-15(21-14-25(2,31)27(4,32)24(30)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(34-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21+,23-,24+,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H]1C[C@](C)(O)[C@@](C)(O)[C@H](O)O1,C28H36O6,pos_2MMg,468.251188872,UPOXIHOCSBWLNQ,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0
4504,3500,-1,,,,0.0,MS1_match,WNCJLIJFOKOWMU-NGNKZELYSA-N,"InChI=1S/C28H36O6/c1-16(22(30)14-25(2,32)26(3,33)15-29)17-7-9-19-18(12-17)8-10-21-20(19)13-24-28(34-24)11-5-6-23(31)27(21,28)4/h5-7,9,12,15-16,20-22,24,30,32-33H,8,10-11,13-14H2,1-4H3/t16-,20-,21-,22+,24-,25-,26-,27-,28-/m0/s1",C[C@@H](c1ccc2c(c1)CC[C@H]1[C@H]2C[C@@H]2O[C@@]23CC=CC(=O)[C@]13C)[C@H](O)C[C@](C)(O)[C@@](C)(O)C=O,C28H36O6,pos_2MMg,468.251188872,WNCJLIJFOKOWMU,Terpenoids,Steroids,Ergostane steroids,Salpichroa origanifolia,104427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Salpichroa'],['Salpichroa origanifolia'],6,0,6.0
4505,3500,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-PNSKYDRMSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19+,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Physochlaina physaloides,329316.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Hyoscyameae'],['Physochlaina'],['Physochlaina physaloides'],6,0,6.0
4506,3500,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
4507,3500,-1,,,,0.0,MS1_match,PUGVQJIZFAUFIH-KVZDTKSGSA-N,"InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1",CC1=C(C)[C@]2(OC1=O)[C@H](O)[C@@H](C)[C@]1(O)CC[C@H]3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@@]31C,C28H36O6,pos_2MMg,468.251188872,PUGVQJIZFAUFIH,Terpenoids,Steroids,Ergostane steroids,Jaborosa odonelliana,5784107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa odonelliana'],6,0,6.0
4508,3500,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0
4509,3500,-1,,,,0.0,MS1_match,RQGXOMVMGPVOQK-KAUDDYPASA-N,"InChI=1S/C28H36O6/c1-13-10-19(32-24(31)14(13)2)15(3)27-23(33-27)12-18-16-11-22-28(34-22)21(30)7-6-20(29)26(28,5)17(16)8-9-25(18,27)4/h6-7,15-19,21-23,30H,8-12H2,1-5H3/t15-,16-,17+,18+,19-,21+,22-,23-,25+,26+,27-,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]23O[C@@H]2C[C@H]2[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,RQGXOMVMGPVOQK,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0
4510,3500,-1,,,,0.0,MS1_match,ZZCMFFGGLCGPHY-RODDKVAYSA-N,"InChI=1S/C28H36O6/c1-13-10-20(33-25(32)14(13)2)15(3)26(4)18-6-7-19-17(16(18)11-23(26)31)12-24-28(34-24)22(30)9-8-21(29)27(19,28)5/h8-9,15,17,19-20,22-24,30-31H,6-7,10-12H2,1-5H3/t15-,17+,19+,20-,22+,23-,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(C)C3=C(C[C@H]2O)[C@@H]2C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]5(C)[C@H]2CC3)C1,C28H36O6,pos_2MMg,468.2511888719999,ZZCMFFGGLCGPHY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,0,6.0
4511,3500,-1,,,,0.0,MS1_match,UNWUYUBEZUQEBC-DREDRYRMSA-N,"InChI=1S/C28H36O6/c1-16-14-23(34-24(31)19(16)15-29)27(4,32)28(33)13-11-20-18-9-8-17-6-5-7-22(30)26(17,3)21(18)10-12-25(20,28)2/h5,7-8,11,18,21,23,29,32-33H,6,9-10,12-15H2,1-4H3/t18-,21-,23+,25-,26-,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@](C)(O)[C@@]2(O)CC=C3[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H36O6,pos_2MMg,468.251188872,UNWUYUBEZUQEBC,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0
4512,3500,-1,,,,0.0,MS1_match,UFEAJHDMQVGVJI-NODKRQMBSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h5,7-8,15-16,19-21,23-24,29,31H,6,9-13H2,1-4H3/t15-,16-,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,UFEAJHDMQVGVJI,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0
4513,3500,-1,,,,0.0,MS1_match,XGPALHIQWWGRFB-TTWUVOALSA-N,"InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,24+,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C28H36O6,pos_2MMg,468.2511888719999,XGPALHIQWWGRFB,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0
4514,3500,-1,,,,0.0,MS1_match,LOHQECMUTAPWAC-UHFFFAOYSA-N,"InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3",CC1=C(CO)C(=O)OC(C2(C)OC34CCC2(O)C3(C)CCC2C4CC=C3C=CCC(=O)C32C)C1,C28H36O6,pos_2MMg,468.251188872,LOHQECMUTAPWAC,Terpenoids,Steroids,Ergostane steroids,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0
4515,3500,-1,,,,0.0,MS1_match,UEXBVTCXVKSQTD-DBRLRIMGSA-N,"InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)16-8-9-17-22-18(12-21(30)26(16,17)4)27(5)20(29)7-6-10-28(27,32)24-23(22)34-24/h6-7,15-19,22-24,32H,8-12H2,1-5H3/t15-,16+,17-,18-,19-,22-,23-,24-,26+,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC(=O)[C@]23C)C1,C28H36O6,pos_2MMg,468.251188872,UEXBVTCXVKSQTD,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0
4516,3500,-1,,,,0.0,MS1_match,WIHHRHVFHPQFCX-XPWKSDAQSA-N,"InChI=1S/C28H36O6/c1-14-25(32)34-20-12-26(14,2)33-13-17(20)19-11-10-18-16-9-8-15-6-5-7-21(29)27(15,3)22(16)23(30)24(31)28(18,19)4/h5,7-8,16-20,22-24,30-31H,1,6,9-13H2,2-4H3/t16-,17-,18-,19+,20+,22+,23-,24+,26+,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3[C@H](O)[C@@H](O)[C@]12C,C28H36O6,pos_2MMg,468.251188872,WIHHRHVFHPQFCX,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0
4517,3499,-1,,,,0.0,MS1_match,LLKRJRVDKASBCG-UHFFFAOYSA-N,"InChI=1S/C19H28O3/c1-16(2)12-7-8-19-9-11(18(4)15(19)22-18)5-6-13(19)17(12,3)10-14(20)21-16/h11-13,15H,5-10H2,1-4H3",CC1(C)OC(=O)CC2(C)C1CCC13CC(CCC21)C1(C)OC31,C19H28O3,pos_1_minus1proton1iron,304.203844756,LLKRJRVDKASBCG,Terpenoids,Diterpenoids,,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
4518,3498,-1,,,,0.23174807,ISDB,KZLGFUZEKMOLGG-OEDDZMFJSA-N,"InChI=1S/C20H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)18-17(6)19(21)20(7,22)23-18/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12-/t13-,14-,20-/m0/s1",CCC[C@H](C)C[C@H](C)/C=C(C)/C=C(/C)C1=C(C)C(=O)[C@@](C)(O)O1,C20H32O3,,320.235144884,KZLGFUZEKMOLGG,Polyketides,Linear polyketides,Open-chain polyketides,Siphonaria oculus,2883450.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Unknown'],['Siphonariidae'],['Unknown'],['Siphonaria'],['Siphonaria oculus'],4,0,4.926992297172546
4519,3496,435,Fatty acids,Fatty amides,N-acyl amines,0.836426,ISDB,XKHCEDYSKNATME-YSTUJMKBSA-N,"InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)/b5-4-,8-7-,11-10-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1,C26H39NO2,,397.298079488,XKHCEDYSKNATME,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,8.845704078674316
4520,3496,435,Fatty acids,Fatty amides,N-acyl amines,0.836426,ISDB,XKHCEDYSKNATME-UHFFFAOYSA-N,"InChI=1S/C26H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h4-5,7-8,10-11,18-20,22H,3,6,9,12-17,21,23H2,1-2H3,(H,27,28)",CCC=CCC=CCC=CCCCCCCCC(=O)NCc1cccc(OC)c1,C26H39NO2,,397.298079488,XKHCEDYSKNATME,Fatty acids,Fatty amides,N-acyl amines,Heliopsis helianthoides,661690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],4,3,8.845704078674316
4521,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulicaria wightiana,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],6,0,6.0
4522,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aster indicus,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],6,0,6.0
4523,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3",COC(=O)C1(O)CC(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4524,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Chrysanthemum morifolium,3899190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum x morifolium'],6,0,6.0
4525,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dichrocephala bicolor,7597980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Dichrocephala'],['Dichrocephala bicolor'],6,0,6.0
4526,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phagnalon rupestre,96923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Phagnalon'],['Phagnalon rupestre'],6,0,6.0
4527,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-OKXQOVHHSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26-/m1/s1",COC(=O)[C@@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia rupestris,202544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia rupestris'],6,0,6.0
4528,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petasites japonicus,47000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Petasites'],['Petasites japonicus'],6,0,6.0
4529,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scorzonera latifolia,129206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Scorzonera'],['Scorzonera latifolia'],6,0,6.0
4530,3495,-1,,,,0.0,MS1_match,MLWOGXLYVLMHAS-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-19-7-3-15(11-18(19)29)5-9-23(31)38-21-13-26(35,25(33)34)12-20(24(21)32)37-22(30)8-4-14-2-6-16(27)17(28)10-14/h2-11,20-21,24,27-29,32,35H,12-13H2,1H3,(H,33,34)/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COc1ccc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)cc1O,C26H26O12,pos_1_1proton,530.142426272,MLWOGXLYVLMHAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helichrysum stoechas,323167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum stoechas'],6,0,6.0
4531,3495,-1,,,,0.0,MS1_match,DJXURFUTIYZESV-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)",COc1cc(C=CC(=O)OC2CC(OC(=O)C=Cc3ccc(O)c(O)c3)(C(=O)O)CC(O)C2O)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,DJXURFUTIYZESV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4532,3495,-1,,,,0.0,MS1_match,DJXURFUTIYZESV-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)4-8-22(31)37-21-13-26(25(34)35,12-19(30)24(21)33)38-23(32)9-5-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)",COc1cc(C=CC(=O)OC2CC(OC(=O)C=Cc3ccc(O)c(O)c3)(C(=O)O)CC(O)C2O)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,DJXURFUTIYZESV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4533,3495,-1,,,,0.0,MS1_match,HFPFOWZKUHZLHL-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-19-11-15(3-7-17(19)28)5-9-23(31)38-21-13-26(35,25(33)34)12-20(24(21)32)37-22(30)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-29,32,35H,12-13H2,1H3,(H,33,34)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(OC(=O)C=Cc3ccc(O)c(O)c3)C2O)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,HFPFOWZKUHZLHL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4534,3495,-1,,,,0.0,MS1_match,HFPFOWZKUHZLHL-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-19-11-15(3-7-17(19)28)5-9-23(31)38-21-13-26(35,25(33)34)12-20(24(21)32)37-22(30)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-29,32,35H,12-13H2,1H3,(H,33,34)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(OC(=O)C=Cc3ccc(O)c(O)c3)C2O)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,HFPFOWZKUHZLHL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4535,3495,-1,,,,0.0,MS1_match,WBACKTNTXNGGBO-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-26(25(34)35)12-19(30)24(33)21(13-26)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,33H,12-13H2,1H3,(H,34,35)",COc1cc(C=CC(=O)OC2(C(=O)O)CC(O)C(O)C(OC(=O)C=Cc3ccc(O)c(O)c3)C2)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,WBACKTNTXNGGBO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4536,3495,-1,,,,0.0,MS1_match,SDMADMBVKYOYQN-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,SDMADMBVKYOYQN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4537,3495,-1,,,,0.0,MS1_match,SDMADMBVKYOYQN-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-8-22(31)37-21-13-26(35,25(33)34)12-19(30)24(21)38-23(32)9-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)",COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2OC(=O)C=Cc2ccc(O)c(O)c2)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,SDMADMBVKYOYQN,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4538,3495,-1,,,,0.0,MS1_match,RKAYMOSEFYVEJU-DRFAHUGVSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-4+,9-5+/t19-,21-,24-,26+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,RKAYMOSEFYVEJU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4539,3495,-1,,,,0.0,MS1_match,RKAYMOSEFYVEJU-DRFAHUGVSA-N,"InChI=1S/C26H26O12/c1-36-20-11-15(3-7-17(20)28)5-9-23(32)38-24-19(30)12-26(35,25(33)34)13-21(24)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h2-11,19,21,24,27-30,35H,12-13H2,1H3,(H,33,34)/b8-4+,9-5+/t19-,21-,24-,26+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@@](O)(C(=O)O)C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,RKAYMOSEFYVEJU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4540,3495,-1,,,,0.0,MS1_match,YYQLHNZLMHCTAM-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-21-11-15(3-7-17(21)28)4-8-22(32)37-24-19(30)12-26(25(34)35,13-20(24)31)38-23(33)9-5-14-2-6-16(27)18(29)10-14/h2-11,19-20,24,27-31H,12-13H2,1H3,(H,34,35)",COc1cc(C=CC(=O)OC2C(O)CC(OC(=O)C=Cc3ccc(O)c(O)c3)(C(=O)O)CC2O)ccc1O,C26H26O12,pos_1_1proton,530.1424262719999,YYQLHNZLMHCTAM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4541,3495,-1,,,,0.0,MS1_match,PKJBSZTYNDRXEQ-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,PKJBSZTYNDRXEQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulicaria wightiana,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],6,0,6.0
4542,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia carvifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
4543,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia caruifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
4544,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scorzonera veratrifolia,3896889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Scorzonera'],['Scorzonera veratrifolia'],6,0,6.0
4545,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aster indicus,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],6,0,6.0
4546,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3",COC(=O)C1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4547,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Chrysanthemum morifolium,3899190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum x morifolium'],6,0,6.0
4548,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-IYVYCCGLSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24?,26?/m1/s1",COC(=O)C1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia ludoviciana,202533.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia ludoviciana'],6,0,6.0
4549,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3",COC(=O)C1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia,465444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Unknown'],6,0,6.0
4550,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dichrocephala bicolor,7597980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Dichrocephala'],['Dichrocephala bicolor'],6,0,6.0
4551,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phagnalon rupestre,96923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Phagnalon'],['Phagnalon rupestre'],6,0,6.0
4552,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mikania laevigata,755871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania laevigata'],6,0,6.0
4553,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scorzonera veratrifolia,3896889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Scorzonera'],['Scorzonera veratrifolia'],6,0,6.0
4554,3495,-1,,,,0.0,MS1_match,JUHOZYRSRTUDPA-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(35)26(38-23(33)9-5-15-3-7-17(28)19(30)11-15)12-20(31)24(34)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,34H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,JUHOZYRSRTUDPA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia carvifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
4555,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia caruifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
4556,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pulicaria wightiana,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],6,0,6.0
4557,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aster indicus,608334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster indicus'],6,0,6.0
4558,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3",COC(=O)C1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
4559,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Chrysanthemum morifolium,3899190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum x morifolium'],6,0,6.0
4560,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-IYVYCCGLSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24?,26?/m1/s1",COC(=O)C1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.1424262719999,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia ludoviciana,202533.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia ludoviciana'],6,0,6.0
4561,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-UHFFFAOYSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3",COC(=O)C1(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia,465444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Unknown'],6,0,6.0
4562,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dichrocephala bicolor,7597980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Dichrocephala'],['Dichrocephala bicolor'],6,0,6.0
4563,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phagnalon rupestre,96923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Phagnalon'],['Phagnalon rupestre'],6,0,6.0
4564,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Mikania laevigata,755871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania laevigata'],6,0,6.0
4565,3495,-1,,,,0.0,MS1_match,VEBNYMXKXIIGFX-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(37-22(31)8-4-14-2-6-16(27)18(29)10-14)24(33)21(13-26)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h2-11,20-21,24,27-30,33,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(O)C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,VEBNYMXKXIIGFX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia carvifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
4566,3495,-1,,,,0.0,MS1_match,JUHOZYRSRTUDPA-VOHNXBSUSA-N,"InChI=1S/C26H26O12/c1-36-25(35)26(38-23(33)9-5-15-3-7-17(28)19(30)11-15)12-20(31)24(34)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,34H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1",COC(=O)[C@]1(OC(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C26H26O12,pos_1_1proton,530.142426272,JUHOZYRSRTUDPA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Artemisia caruifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
4567,3494,725,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,NEZCMGYOACDFPH-ZQMBXQQMSA-N,"InChI=1S/C16H28O7/c1-4-16(3,7-5-6-10(2)8-17)23-15-14(21)13(20)12(19)11(9-18)22-15/h4,6,11-15,17-21H,1,5,7-9H2,2-3H3/b10-6+/t11-,12-,13+,14-,15+,16-/m1/s1",C=C[C@](C)(CC/C=C(\C)CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O7,pos_1_1proton1ethylamine,332.183503236,NEZCMGYOACDFPH,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,3,8.5
4568,3493,413,Terpenoids,Triterpenoids,Cycloapotirucallane triterpenoids,0.423624,ISDB,QUYGEGSOVYMIEU-UHFFFAOYSA-N,"InChI=1S/C22H30O3/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22(24)25)13-14-21(19)23/h7,9,11,13-15,23H,5-6,8,10,12H2,1-4H3,(H,24,25)",CC(C)=CCCC(C)=CCCC(C)=CCc1cc(C(=O)O)ccc1O,C22H30O3,,342.21949482,QUYGEGSOVYMIEU,Terpenoids,Meroterpenoids,Merosesquiterpenoids,Limnophila geoffrayi,3883276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Limnophila'],['Limnophila geoffrayi'],6,1,8.194496035575867
4569,3492,443,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ZNDMLUUNNNHNKC-HZXDTFASSA-N,"InChI=1S/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1,C23H34O6,pos_2MFe,406.2355388079999,ZNDMLUUNNNHNKC,Terpenoids,Steroids,Cardenolides,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5
4570,3492,443,Terpenoids,Steroids,Cardenolides,0.0,MS1_match,ZNDMLUUNNNHNKC-HZXDTFASSA-N,"InChI=1S/C23H34O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,15-18,24-25,27-28H,2-9,11-13H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1",C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1,C23H34O6,pos_2MFe,406.2355388079999,ZNDMLUUNNNHNKC,Terpenoids,Steroids,Cardenolides,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5
4571,3490,228,Amino acids and Peptides,Small peptides,Aminoacids,0.8113204,ISDB,OUYCCCASQSFEME-UHFFFAOYSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",NC(Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,8.74528169631958
4572,3490,228,Amino acids and Peptides,Small peptides,Aminoacids,0.8113204,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Periplaneta americana,48288.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Blattodea'],['Blattidae'],['Unknown'],['Dictyoptera'],['Periplaneta americana'],4,3,8.74528169631958
4573,3490,228,Amino acids and Peptides,Small peptides,Aminoacids,0.8113204,ISDB,OUYCCCASQSFEME-MRVPVSSYSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1",N[C@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,3,8.74528169631958
4574,3489,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_2MHCH3CN,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
4575,3488,-1,,,,0.0,MS1_match,JRHBRSNGMLYULO-QFIPXVFZSA-N,"InChI=1S/C22H23NO4/c1-13-15-5-6-18-21(27-12-26-18)16(15)11-22(13)17-10-20(25-4)19(24-3)9-14(17)7-8-23(22)2/h5-6,9-10H,1,7-8,11-12H2,2-4H3/t22-/m0/s1",C=C1c2ccc3c(c2C[C@@]12c1cc(OC)c(OC)cc1CCN2C)OCO3,C22H23NO4,pos_1_minus1proton1magnesium,365.162708216,JRHBRSNGMLYULO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,0,6.0
4576,3488,-1,,,,0.0,MS1_match,JRHBRSNGMLYULO-QFIPXVFZSA-N,"InChI=1S/C22H23NO4/c1-13-15-5-6-18-21(27-12-26-18)16(15)11-22(13)17-10-20(25-4)19(24-3)9-14(17)7-8-23(22)2/h5-6,9-10H,1,7-8,11-12H2,2-4H3/t22-/m0/s1",C=C1c2ccc3c(c2C[C@@]12c1cc(OC)c(OC)cc1CCN2C)OCO3,C22H23NO4,pos_1_minus1proton1magnesium,365.162708216,JRHBRSNGMLYULO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],6,0,6.0
4577,3488,-1,,,,0.0,MS1_match,JRHBRSNGMLYULO-QFIPXVFZSA-N,"InChI=1S/C22H23NO4/c1-13-15-5-6-18-21(27-12-26-18)16(15)11-22(13)17-10-20(25-4)19(24-3)9-14(17)7-8-23(22)2/h5-6,9-10H,1,7-8,11-12H2,2-4H3/t22-/m0/s1",C=C1c2ccc3c(c2C[C@@]12c1cc(OC)c(OC)cc1CCN2C)OCO3,C22H23NO4,pos_1_minus1proton1magnesium,365.162708216,JRHBRSNGMLYULO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,0,6.0
4578,3488,-1,,,,0.0,MS1_match,UZOSDBREZDOHGU-ZDUSSCGKSA-N,"InChI=1S/C19H17NO6/c21-19(22)17-11(1-2-14-18(17)26-9-23-14)5-13-12-7-16-15(24-8-25-16)6-10(12)3-4-20-13/h1-2,6-7,13,20H,3-5,8-9H2,(H,21,22)/t13-/m0/s1",O=C(O)c1c(C[C@@H]2NCCc3cc4c(cc32)OCO4)ccc2c1OCO2,C19H17NO6,pos_1_1proton1methanol,355.10558726399995,UZOSDBREZDOHGU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,0,6.0
4579,3488,-1,,,,0.0,MS1_match,XPVUPHZUUXVXQD-DLBZAZTESA-N,"InChI=1S/C19H17NO6/c1-20-5-4-9-6-12(21)13(22)7-11(9)16(20)17-10-2-3-14-18(25-8-24-14)15(10)19(23)26-17/h2-3,6-7,16-17,21-22H,4-5,8H2,1H3/t16-,17+/m0/s1",CN1CCc2cc(O)c(O)cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1,C19H17NO6,pos_1_1proton1methanol,355.105587264,XPVUPHZUUXVXQD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,0,6.0
4580,3488,-1,,,,0.0,MS1_match,XPVUPHZUUXVXQD-UHFFFAOYSA-N,"InChI=1S/C19H17NO6/c1-20-5-4-9-6-12(21)13(22)7-11(9)16(20)17-10-2-3-14-18(25-8-24-14)15(10)19(23)26-17/h2-3,6-7,16-17,21-22H,4-5,8H2,1H3",CN1CCc2cc(O)c(O)cc2C1C1OC(=O)c2c1ccc1c2OCO1,C19H17NO6,pos_1_1proton1methanol,355.105587264,XPVUPHZUUXVXQD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,0,6.0
4581,3487,-1,,,,0.26819247,ISDB,KCUXSQJYIWEGRG-SNVBAGLBSA-N,"InChI=1S/C16H14O5/c17-11-2-3-12-15(7-11)21-8-10(16(12)20)5-9-1-4-13(18)14(19)6-9/h1-4,6-7,10,17-19H,5,8H2/t10-/m1/s1",O=C1c2ccc(O)cc2OC[C@H]1Cc1ccc(O)c(O)c1,C16H14O5,,286.084123548,KCUXSQJYIWEGRG,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavanones,Biancaea sappan,204025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Biancaea'],['Biancaea sappan'],1,0,2.0727698802948
4582,3486,-1,,,,0.22161123,ISDB,NPKYNQPMKHIDCY-WQKHGGJESA-N,"InChI=1S/C15H16O6/c1-3-4-6-15(2)7-5-9(21-15)12-13(18)10(8-11(16)17)20-14(12)19/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)/b10-8-,12-9-/t15-/m1/s1",CCCC[C@]1(C)C=C/C(=C2/C(=O)O/C(=C\C(=O)O)C2=O)O1,C15H16O6,,292.094688232,NPKYNQPMKHIDCY,Polyketides,Cyclic polyketides,Phthalide derivatives,Penicillium italicum,6232.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium italicum'],1,0,1.8864449262619019
4583,3482,234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.40392262,ISDB,NRTALHZHXXNSOY-AJRFGLQTSA-N,"InChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9-,16-,17-,19+,20-,21-,23-,24+,25-,26-,27-,30+,31-,32+,33-/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O21,,772.2062083000001,NRTALHZHXXNSOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,11.115690469741821
4584,3473,-1,,,,0.3081339,ISDB,BCNPTKKIVMTZFO-UHFFFAOYSA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=O,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,0,5.2325356006622314
4585,3473,-1,,,,0.3081339,ISDB,BCNPTKKIVMTZFO-BWEORVRESA-N,"InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9-,18-11+/t20-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=O)C(C)(C)C[C@H](O)C1,C22H30O2,,326.2245802,BCNPTKKIVMTZFO,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,0,5.2325356006622314
4586,3471,60,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,0.0,MS1_match,FNUUELXEOOURSN-NTZNESFSSA-N,"InChI=1S/C14H16N2O6/c17-10-6-11(18)16(12(10)19)13-8(3-5-21-13)7-22-14(20)9-2-1-4-15-9/h1-4,10-11,13,15,17-18H,5-7H2/t10-,11+,13-/m1/s1",O=C(OCC1=CCO[C@H]1N1C(=O)[C@H](O)C[C@@H]1O)c1ccc[nH]1,C14H16N2O6,pos_1_minus1proton1magnesium,308.100836232,FNUUELXEOOURSN,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Brachystemma calycinum,109659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Brachystemma'],['Brachystemma calycinum'],7,3,8.5
4587,3470,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WMWULFWRZYXSIW-DMTCNVIQSA-N,"InChI=1S/C5H8O3/c1-3-4(6)2-8-5(3)7/h3-4,6H,2H2,1H3/t3-,4+/m1/s1",C[C@H]1C(=O)OC[C@@H]1O,C5H8O3,pos_2MHCH3CN,116.047344116,WMWULFWRZYXSIW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,3,8.5
4588,3469,-1,,,,0.0,MS1_match,DTLKWZKUAHYQGX-XWPKWBKVSA-N,"InChI=1S/C43H71NO15/c1-19-7-12-43(44-15-19)20(2)30-28(59-43)14-25-23-6-5-21-13-22(8-10-41(21,3)24(23)9-11-42(25,30)4)55-40-37(58-39-35(52)32(49)27(47)18-54-39)36(33(50)29(16-45)56-40)57-38-34(51)31(48)26(46)17-53-38/h19-40,44-52H,5-18H2,1-4H3/t19-,20-,21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-,43-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C43H71NO15,pos_1_1sodium,841.482370572,DTLKWZKUAHYQGX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum polyadenium,913165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum polyadenium'],8,0,8.0
4589,3468,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.66687083,ISDB,DBJHCHBDQALOAS-XWIAVFTESA-N,"InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m1/s1",O[C@@H]1Cc2cc3c(cc2[C@@H]2NCc4c(ccc5c4OCO5)[C@H]12)OCO3,C19H17NO5,,339.110672644,DBJHCHBDQALOAS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,3,10.16748332977295
4590,3468,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.66687083,ISDB,DBJHCHBDQALOAS-XWIAVFTESA-N,"InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m1/s1",O[C@@H]1Cc2cc3c(cc2[C@@H]2NCc4c(ccc5c4OCO5)[C@H]12)OCO3,C19H17NO5,,339.110672644,DBJHCHBDQALOAS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,10.16748332977295
4591,3468,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.66687083,ISDB,DBJHCHBDQALOAS-UHFFFAOYSA-N,"InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2",OC1Cc2cc3c(cc2C2NCc4c(ccc5c4OCO5)C12)OCO3,C19H17NO5,,339.110672644,DBJHCHBDQALOAS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,10.16748332977295
4592,3468,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.66687083,ISDB,DBJHCHBDQALOAS-XWIAVFTESA-N,"InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m1/s1",O[C@@H]1Cc2cc3c(cc2[C@@H]2NCc4c(ccc5c4OCO5)[C@H]12)OCO3,C19H17NO5,,339.110672644,DBJHCHBDQALOAS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium corniculatum,3944918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium corniculatum'],6,3,10.16748332977295
4593,3468,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.66687083,ISDB,DBJHCHBDQALOAS-XWIAVFTESA-N,"InChI=1S/C19H17NO5/c21-13-3-9-4-15-16(24-7-23-15)5-11(9)18-17(13)10-1-2-14-19(25-8-22-14)12(10)6-20-18/h1-2,4-5,13,17-18,20-21H,3,6-8H2/t13-,17-,18+/m1/s1",O[C@@H]1Cc2cc3c(cc2[C@@H]2NCc4c(ccc5c4OCO5)[C@H]12)OCO3,C19H17NO5,,339.110672644,DBJHCHBDQALOAS,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium grandiflorum,5727864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium grandiflorum'],6,3,10.16748332977295
4594,3462,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7215084,ISDB,JBGDCLMWFVYYMW-OAHLLOKOSA-N,"InChI=1S/C16H17NO3/c1-20-13-7-4-10-8-9-17-15(14(10)16(13)19)11-2-5-12(18)6-3-11/h2-7,15,17-19H,8-9H2,1H3/t15-/m1/s1",COc1ccc2c(c1O)[C@@H](c1ccc(O)cc1)NCC2,C16H17NO3,,271.120843404,JBGDCLMWFVYYMW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],1,3,5.386033535003662
4595,3461,-1,,,,0.29110608,ISDB,OSINFMIOMWBGDS-UHFFFAOYSA-N,"InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3",COC(=O)C(C)CCc1c[nH]c2ccccc12,C14H17NO2,,231.125928784,OSINFMIOMWBGDS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Glycosmis pentaphylla,254962.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis pentaphylla'],4,0,5.164424300193787
4596,3461,-1,,,,0.29110608,ISDB,OSINFMIOMWBGDS-UHFFFAOYSA-N,"InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3",COC(=O)C(C)CCc1c[nH]c2ccccc12,C14H17NO2,,231.125928784,OSINFMIOMWBGDS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,0,5.164424300193787
4597,3461,-1,,,,0.29110608,ISDB,OSINFMIOMWBGDS-SNVBAGLBSA-N,"InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3/t10-/m1/s1",COC(=O)[C@H](C)CCc1c[nH]c2ccccc12,C14H17NO2,,231.125928784,OSINFMIOMWBGDS,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,0,5.164424300193787
4598,3458,447,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.63798994,ISDB,IKNLAIKCPOECJF-BCPYCVGSSA-N,"InChI=1S/C14H18O4/c1-7-5-10-8(11(15)12(16)17-10)6-14-9(7)3-4-13(14,2)18-14/h7,9-10,15H,3-6H2,1-2H3/t7-,9-,10-,13+,14-/m0/s1",C[C@H]1C[C@@H]2OC(=O)C(O)=C2C[C@@]23O[C@]2(C)CC[C@@H]13,C14H18O4,,250.120509056,IKNLAIKCPOECJF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pulicaria undulata,910057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Francoeuria'],['Francoeuria undulata'],0,3,4.051959753036499
4599,3457,163,Shikimates and Phenylpropanoids,Steroids,Spirostane steroids,0.0,MS1_match,KPQCBBBNEYDLKJ-IRUCQPONSA-N,"InChI=1S/C50H82O24/c1-18-7-10-50(66-16-18)19(2)29-41(74-50)34(59)30-21-6-5-20-11-25(23(54)12-49(20,4)22(21)8-9-48(29,30)3)67-45-39(64)36(61)40(28(15-53)70-45)71-47-43(73-46-38(63)35(60)32(57)26(13-51)68-46)42(33(58)27(14-52)69-47)72-44-37(62)31(56)24(55)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H82O24,pos_3_1proton2sodium,1066.519603504,KPQCBBBNEYDLKJ,Terpenoids,Steroids,Spirostane steroids,Digitalis purpurea,75205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis purpurea'],6,3,7.5
4600,3455,-1,,,,0.5892948,ISDB,FSHFTBIZLJLROH-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-21(2)10-9-13-6-8-16(22)20-15(13)7-5-14-11-18(23-3)19(24-4)12-17(14)25-20/h6,8,11-12,22H,5,7,9-10H2,1-4H3",COc1cc2c(cc1OC)Oc1c(O)ccc(CCN(C)C)c1CC2,C20H25NO4,,343.17835828,FSHFTBIZLJLROH,Shikimates and Phenylpropanoids,,,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,0,8.357179164886475
4601,3454,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,WLVZTRYJBHPIOC-TWZSDASFSA-N,"InChI=1S/C46H74O18/c1-18-10-13-46(64-40(18)56-7)19(2)30-27(63-46)15-26-24-9-8-22-14-23(11-12-44(22,5)25(24)16-29(48)45(26,30)6)59-43-39(62-42-36(54)34(52)32(50)21(4)58-42)37(55)38(28(17-47)60-43)61-41-35(53)33(51)31(49)20(3)57-41/h8,18-21,23-43,47-55H,9-17H2,1-7H3/t18-,19+,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40-,41+,42+,43-,44+,45-,46+/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C46H74O18,pos_2_1proton1sodium,914.487515528,WLVZTRYJBHPIOC,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,1,8.5
4602,3454,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,KNFFNNXVQUAVOB-DZWUJCGASA-N,"InChI=1S/C46H74O18/c1-19-10-15-45(64-39(19)56-7)22(4)46(55)29(63-45)17-27-25-9-8-23-16-24(11-13-43(23,5)26(25)12-14-44(27,46)6)59-42-38(62-41-35(53)33(51)31(49)21(3)58-41)36(54)37(28(18-47)60-42)61-40-34(52)32(50)30(48)20(2)57-40/h8,19-22,24-42,47-55H,9-18H2,1-7H3/t19-,20+,21+,22-,24+,25-,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C46H74O18,pos_2_1proton1sodium,914.487515528,KNFFNNXVQUAVOB,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,1,8.5
4603,3454,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,KNFFNNXVQUAVOB-DZWUJCGASA-N,"InChI=1S/C46H74O18/c1-19-10-15-45(64-39(19)56-7)22(4)46(55)29(63-45)17-27-25-9-8-23-16-24(11-13-43(23,5)26(25)12-14-44(27,46)6)59-42-38(62-41-35(53)33(51)31(49)21(3)58-41)36(54)37(28(18-47)60-42)61-40-34(52)32(50)30(48)20(2)57-40/h8,19-22,24-42,47-55H,9-18H2,1-7H3/t19-,20+,21+,22-,24+,25-,26+,27+,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C46H74O18,pos_2_1proton1sodium,914.487515528,KNFFNNXVQUAVOB,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,1,8.5
4604,3453,-1,,,,0.2866056,ISDB,NMDKNHOJRXLMGG-BECBKZTQSA-N,"InChI=1S/C19H28O8/c1-10-6-11(21)7-17(2,3)19(10)5-4-18(27-19)9-24-16-15(26-18)14(23)13(22)12(8-20)25-16/h6,12-16,20,22-23H,4-5,7-9H2,1-3H3/t12-,13-,14+,15-,16-,18-,19-/m0/s1",CC1=CC(=O)CC(C)(C)[C@]12CC[C@@]1(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O1)O2,C19H28O8,,384.178417856,NMDKNHOJRXLMGG,Terpenoids,,,Castela polyandra,6128056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Castela'],['Castela polyandra'],4,0,5.146422386169434
4605,3452,276,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,KZSNJWFQEVHDMF-BYPYZUCNSA-N,"InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1",CC(C)[C@H](N)C(=O)O,C5H11NO2,pos_2MH,117.078978592,KZSNJWFQEVHDMF,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
4606,3451,495,Terpenoids,Steroids,Cholestane steroids,0.45201188,ISDB,JXCAWBKVCGIFHC-RZRCCKHBSA-N,"InChI=1S/C25H40O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h17-23,26H,7-16H2,1-4H3/t17-,18-,19+,20+,21-,22+,23+,24+,25-/m1/s1",CC#CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C25H40O,,356.3079159,JXCAWBKVCGIFHC,Terpenoids,Steroids,Cholestane steroids,Calyx nicaeensis,2834127.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Phloeodictyidae'],['Unknown'],['Calyx'],['Calyx nicaeensis'],1,3,4.308047533035278
4607,3450,-1,,,,0.51317716,ISDB,,,,,,,JKIBIUKLWMZLGX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.052708625793457
4608,3447,-1,,,,0.0,MS1_match,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea baldschuanica,1036514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea baldschuanica'],7,0,7.0
4609,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Onopordum macrocanthum,6057219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum macrocanthum'],7,0,7.0
4610,3447,-1,,,,0.0,MS1_match,QKQGXZIVYKJKBQ-RASOWBLLSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,12-14,16-17H,2-3,5,7-8H2,1H3/b9-4+,11-6-/t12-,13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)[C@@H](O)C[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,QKQGXZIVYKJKBQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4611,3447,-1,,,,0.0,MS1_match,QKQGXZIVYKJKBQ-RASOWBLLSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,12-14,16-17H,2-3,5,7-8H2,1H3/b9-4+,11-6-/t12-,13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)[C@@H](O)C[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,QKQGXZIVYKJKBQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
4612,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Carthamus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,0,7.0
4613,3447,-1,,,,0.0,MS1_match,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea crinita,5794842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea crinita'],7,0,7.0
4614,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4615,3447,-1,,,,0.0,MS1_match,PAZYHLOHSAAEKM-VYJZXLQCSA-N,"InChI=1S/C15H20O4/c1-10-13-6-5-11(8-16)3-2-4-12(9-17)7-14(13)19-15(10)18/h3,7,13-14,16-17H,1-2,4-6,8-9H2/b11-3+,12-7+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)CC[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,PAZYHLOHSAAEKM,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],7,0,7.0
4616,3447,-1,,,,0.0,MS1_match,NGPDZEACIWDCKX-WUDKWMPASA-N,"InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h5,7-9,11-12,18H,4,6H2,1-3H3/t8-,9-,11-,12+,14-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)C(=O)C=C[C@@](C)(O)[C@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,NGPDZEACIWDCKX,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
4617,3447,-1,,,,0.0,MS1_match,SNNGLDULRXQHKQ-JSXSYOHWSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,9-13,17H,1-2,6H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)C=O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,SNNGLDULRXQHKQ,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
4618,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4619,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Onopordum macrocanthum,6057219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum macrocanthum'],7,0,7.0
4620,3447,-1,,,,0.0,MS1_match,RVKWXVMCRTUJGJ-PVZBEVCSSA-N,"InChI=1S/C15H20O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7,9-13,17H,1,3-6H2,2H3/t9-,10+,11-,12-,13+,15-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@H](C=O)[C@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,RVKWXVMCRTUJGJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
4621,3447,-1,,,,0.0,MS1_match,KTQLCISPJDVTOS-WBHWTODUSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h7,10-13,16H,2,4-6H2,1,3H3/b8-7+/t10-,11-,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)/C=C(\C)CCC[C@@]1(C)O[C@@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,KTQLCISPJDVTOS,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
4622,3447,-1,,,,0.0,MS1_match,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
4623,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-PLWLBJPKSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31?,32?,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.4233395759999,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Atractylis carduus,140467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylis'],['Atractylis carduus'],7,0,7.0
4624,3447,-1,,,,0.0,MS1_match,PAZYHLOHSAAEKM-VYJZXLQCSA-N,"InChI=1S/C15H20O4/c1-10-13-6-5-11(8-16)3-2-4-12(9-17)7-14(13)19-15(10)18/h3,7,13-14,16-17H,1-2,4-6,8-9H2/b11-3+,12-7+/t13-,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/CO)CC[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,PAZYHLOHSAAEKM,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea albicaulis,741651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea albicaulis'],7,0,7.0
4625,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4626,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-PLWLBJPKSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31?,32?,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.4233395759999,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Atractylis carduus,140467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylis'],['Atractylis carduus'],7,0,7.0
4627,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
4628,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
4629,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
4630,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
4631,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
4632,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,0,7.0
4633,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
4634,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-WWRXHXRLSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(=C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
4635,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
4636,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
4637,3447,-1,,,,0.0,MS1_match,FHYQPZNZWJKLKK-FUCUMGKVSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
4638,3447,-1,,,,0.0,MS1_match,FHYQPZNZWJKLKK-HGVZAONGSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10-,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
4639,3447,-1,,,,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Carthamus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,0,7.0
4640,3447,-1,,,,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
4641,3447,-1,,,,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
4642,3447,-1,,,,0.0,MS1_match,SSTIYLZXJJFLBY-JNSDFJCGSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,13-14,16H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2C(=O)C1,C15H20O4,pos_1_1proton1ethylamine,264.13615912,SSTIYLZXJJFLBY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4643,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
4644,3447,-1,,,,0.0,MS1_match,CNCUVASZDQFGKH-DMLGPZFASA-N,"InChI=1S/C15H20O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h7,9-13,17H,1,3-6H2,2H3/t9-,10-,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CC[C@@H](O)[C@]3(C)CC[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,CNCUVASZDQFGKH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
4645,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4646,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paniculata,735135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paniculata'],7,0,7.0
4647,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],7,0,7.0
4648,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea maroccana,3894184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maroccana'],7,0,7.0
4649,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea bombycina,662748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bombycina'],7,0,7.0
4650,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
4651,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea crocodylium,391024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea crocodylium'],7,0,7.0
4652,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea suffruticosa,715079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea suffruticosa'],7,0,7.0
4653,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea melitensis,539759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea melitensis'],7,0,7.0
4654,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
4655,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea achaia,7612795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea achaia'],7,0,7.0
4656,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea derventana,7612965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea derventana'],7,0,7.0
4657,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus intybaceus,404582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus intybaceus'],7,0,7.0
4658,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea orphanidea,3894141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea orphanidea'],7,0,7.0
4659,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
4660,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum cyrenaicum,7612237.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum cyrenaicum'],7,0,7.0
4661,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
4662,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
4663,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea iberica,726027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea iberica'],7,0,7.0
4664,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
4665,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,0,7.0
4666,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cuneifolia,992160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cuneifolia'],7,0,7.0
4667,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
4668,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
4669,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea castellana,609895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea castellana'],7,0,7.0
4670,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
4671,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
4672,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aegialophila,914194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aegialophila'],7,0,7.0
4673,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,0,7.0
4674,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-IHWVXMPCSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
4675,3447,-1,,,,0.0,MS1_match,GQBRDBUFLQZZBP-KDBYPZKRSA-N,"InChI=1S/C15H20O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,10-13,16-17H,1-3,6-7H2,4H3/t10-,11+,12+,13-,15+/m1/s1",C=C[C@@]1(C)C[C@@H](O)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO,C15H20O4,pos_1_1proton1ethylamine,264.13615912,GQBRDBUFLQZZBP,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum corymbosum,5144245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum corymbosum'],7,0,7.0
4676,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
4677,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinella moschus,519450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinella'],['Jurinella moschus'],7,0,7.0
4678,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea leptoloba,5537596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea leptoloba'],7,0,7.0
4679,3447,-1,,,,0.0,MS1_match,JZWIOLGEFWVOLI-OLZLDLMTSA-N,"InChI=1S/C15H24O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h8-12,16,18H,4-7H2,1-3H3/t8-,9+,10+,11-,12+,14-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)[C@H](O)CC[C@@](C)(O)[C@H]21,C15H24O4,pos_1_1proton1acetonitrile,268.167459248,JZWIOLGEFWVOLI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
4680,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
4681,3447,-1,,,,0.0,MS1_match,BLDTUWFMPJJRPR-PNQYDXICSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,BLDTUWFMPJJRPR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum ambiguum,3894479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum ambiguum'],7,0,7.0
4682,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
4683,3447,-1,,,,0.0,MS1_match,QKZAGVAREZGRQW-MAEJKLRXSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-11(6-16)15(18)19-14(9)13-8(2)12(17)5-10(7)13/h8,10,12-14,16-17H,1,3-6H2,2H3/t8-,10+,12-,13+,14+/m0/s1",C=C1CCC2=C(CO)C(=O)O[C@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,QKZAGVAREZGRQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
4684,3447,-1,,,,0.0,MS1_match,LSBHOHCINQFSLQ-ZPTDNNSVSA-N,"InChI=1S/C17H24O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,12,15-16H,4,6-8,10H2,1-3H3/b11-5+,14-9-/t12-,15-,16+/m0/s1",CC(=O)OC/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1,C17H24O4,pos_1_1proton1ammonium,292.167459248,LSBHOHCINQFSLQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
4685,3447,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-LUQFHCQZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8+,9+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
4686,3447,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-CDUHWDNDSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8-,9-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
4687,3447,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
4688,3447,-1,,,,0.0,MS1_match,DAIIXEWQEXVGNA-GWZQBECVSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-11(10(16)7-8)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5-/t10-,11+,12-,13+,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C/C(C)=C\CC[C@@]1(C)O[C@H]21,C15H20O4,pos_1_1proton1ethylamine,264.13615912,DAIIXEWQEXVGNA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
4689,3447,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
4690,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,0,7.0
4691,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
4692,3447,-1,,,,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
4693,3447,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-BFHYXJOUSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/t12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2CC(C)=CCCC(CO)=C[C@H](O)[C@@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
4694,3447,-1,,,,0.0,MS1_match,HJVDUXDOWYFHPW-VDDNSLTKSA-N,"InChI=1S/C30H48O8/c1-25(2,35)11-10-22-29(7,38-26(3,4)37-22)21-9-13-30(36)17-14-19(31)18-15-20(32)23(33)24(34)28(18,6)16(17)8-12-27(21,30)5/h14,16,18,20-24,32-36H,8-13,15H2,1-7H3/t16-,18-,20+,21-,22+,23+,24+,27+,28+,29+,30+/m0/s1",CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C,C30H48O8,pos_2_2proton2acetonitrile,536.334918496,HJVDUXDOWYFHPW,Terpenoids,Steroids,Ecdysteroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
4695,3447,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea castellana,609895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea castellana'],7,0,7.0
4696,3447,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sonchifolia,7613429.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sonchifolia'],7,0,7.0
4697,3447,-1,,,,0.0,MS1_match,HZCBCWUIZCCMEB-UHFFFAOYSA-N,"InChI=1S/C30H48O8/c1-24(2,34)11-10-23-28(7,38-25(3,4)37-23)21-9-13-29(35)18-14-22(33)30(36)16-20(32)19(31)15-27(30,6)17(18)8-12-26(21,29)5/h14,17,19-21,23,31-32,34-36H,8-13,15-16H2,1-7H3",CC(C)(O)CCC1OC(C)(C)OC1(C)C1CCC2(O)C3=CC(=O)C4(O)CC(O)C(O)CC4(C)C3CCC12C,C30H48O8,pos_2_2proton2acetonitrile,536.334918496,HZCBCWUIZCCMEB,Terpenoids,Steroids,Ecdysteroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
4698,3447,-1,,,,0.0,MS1_match,WMFCEEAYDCXJCA-MRPJSKIDSA-N,"InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h4,7,12-14,16-17H,2-3,5-6,8H2,1H3/b9-4+,11-7-/t12-,13+,14+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(CO)=C/[C@@H](O)[C@H]12,C15H20O4,pos_1_1proton1ethylamine,264.13615912,WMFCEEAYDCXJCA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea seridis,539755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea polyacantha'],7,0,7.0
4699,3447,-1,,,,0.0,MS1_match,HJVDUXDOWYFHPW-UHFFFAOYSA-N,"InChI=1S/C30H48O8/c1-25(2,35)11-10-22-29(7,38-26(3,4)37-22)21-9-13-30(36)17-14-19(31)18-15-20(32)23(33)24(34)28(18,6)16(17)8-12-27(21,30)5/h14,16,18,20-24,32-36H,8-13,15H2,1-7H3",CC(C)(O)CCC1OC(C)(C)OC1(C)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)C(O)C4(C)C3CCC12C,C30H48O8,pos_2_2proton2acetonitrile,536.334918496,HJVDUXDOWYFHPW,Terpenoids,Steroids,Ecdysteroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
4700,3447,-1,,,,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ethylamine,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
4701,3447,-1,,,,0.0,MS1_match,HZCBCWUIZCCMEB-HUSZLGJPSA-N,"InChI=1S/C30H48O8/c1-24(2,34)11-10-23-28(7,38-25(3,4)37-23)21-9-13-29(35)18-14-22(33)30(36)16-20(32)19(31)15-27(30,6)17(18)8-12-26(21,29)5/h14,17,19-21,23,31-32,34-36H,8-13,15-16H2,1-7H3/t17-,19-,20+,21-,23+,26+,27+,28+,29+,30+/m0/s1",CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C30H48O8,pos_2_2proton2acetonitrile,536.334918496,HZCBCWUIZCCMEB,Terpenoids,Steroids,Ecdysteroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
4702,3446,-1,,,,0.0,MS1_match,XPEVBVZPKJAZDB-IRHMCKRBSA-N,"InChI=1S/C16H28O8/c1-8(2)5-11(17)22-7-10-13(19)14(20)15(21)16(23-10)24-12(18)6-9(3)4/h8-10,13-16,19-21H,5-7H2,1-4H3/t10-,13-,14+,15-,16+/m1/s1",CC(C)CC(=O)OC[C@H]1O[C@@H](OC(=O)CC(C)C)[C@H](O)[C@@H](O)[C@@H]1O,C16H28O8,pos_1_1proton1ammonium,348.178417856,XPEVBVZPKJAZDB,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
4703,3446,-1,,,,0.0,MS1_match,QFSROZDKMJOOSY-CTXXCBDISA-N,"InChI=1S/C16H28O8/c1-5-9(4)15(21)24-16-14(23-11(18)6-8(2)3)13(20)12(19)10(7-17)22-16/h8-10,12-14,16-17,19-20H,5-7H2,1-4H3/t9-,10-,12-,13+,14-,16+/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)CC(C)C,C16H28O8,pos_1_1proton1ammonium,348.178417856,QFSROZDKMJOOSY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
4704,3445,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,NYBBODHIFBLFMJ-PMXSCFQLSA-N,"InChI=1S/C11H19NO8/c12-2-1-11(18,4-14)5-19-10-9(17)8(16)7(15)6(3-13)20-10/h6-10,13-18H,1,3-5H2/t6-,7-,8+,9-,10-,11+/m1/s1",N#CC[C@](O)(CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO8,pos_1_1proton1isopropanol,293.111066568,NYBBODHIFBLFMJ,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
4705,3445,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QUKQOJWYWICWBV-MZLYOKELSA-N,"InChI=1S/C11H19NO8/c1-5(2-12)11(17,18)4-19-10-9(16)8(15)7(14)6(3-13)20-10/h5-10,13-18H,3-4H2,1H3/t5?,6-,7-,8+,9-,10-/m1/s1",CC(C#N)C(O)(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C11H19NO8,pos_1_1proton1isopropanol,293.111066568,QUKQOJWYWICWBV,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
4706,3442,435,Fatty acids,Fatty amides,N-acyl amines,0.8850364,ISDB,BMQBTHWVNBJSPS-NQLNTKRDSA-N,"InChI=1S/C26H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26(28)27-23-24-19-18-20-25(22-24)29-2/h7-8,10-11,18-20,22H,3-6,9,12-17,21,23H2,1-2H3,(H,27,28)/b8-7-,11-10-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCc1cccc(OC)c1,C26H41NO2,,399.313729552,BMQBTHWVNBJSPS,Fatty acids,Fatty amides,N-acyl amines,Lepidium meyenii,681784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium meyenii'],4,3,9.040145635604858
4707,3441,901,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,XKEMMYSNKGUOCT-FKSUSPILSA-N,"InChI=1S/C8H12N2O2/c11-4-9-7-6-3-10-2-1-5(12-6)8(7)10/h4-8H,1-3H2,(H,9,11)/t5-,6+,7-,8+/m0/s1",O=CN[C@@H]1[C@H]2[C@@H]3CCN2C[C@H]1O3,C8H12N2O2,pos_2MNa,168.089877624,XKEMMYSNKGUOCT,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Lolium temulentum,215794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Lolium'],['Lolium temulentum'],6,1,6.5
4708,3440,-1,,,,0.0,MS1_match,ARXNJMYASVTMEU-CKDKRRSNSA-N,"InChI=1S/C24H36O4/c1-21-11-7-18-23(3)10-4-9-22(2,16-28-20(27)6-5-19(25)26)17(23)8-12-24(18,15-21)14-13-21/h13-14,17-18H,4-12,15-16H2,1-3H3,(H,25,26)/t17-,18+,21-,22-,23-,24+/m1/s1",C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]4(C)[C@@H]3CC1)C2,C24H36O4,pos_1_minus1proton1iron,388.261359632,ARXNJMYASVTMEU,Terpenoids,Diterpenoids,Beyerane diterpenoids,Fabiana densa,5760366.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana densa'],6,0,6.0
4709,3439,-1,,,,0.0,MS1_match,YIFQICREHIVCKL-YWDFAVMRSA-N,"InChI=1S/C15H19ClO5/c1-6-3-9(17)11-7(2)14(19)21-13(11)12-8(6)4-10(18)15(12,20)5-16/h8-13,17-18,20H,1-5H2/t8-,9-,10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@](O)(CCl)[C@H]21,C15H19ClO5,pos_1_1proton1methanol,314.092101388,YIFQICREHIVCKL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,0,7.0
4710,3439,-1,,,,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1potassium,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
4711,3439,-1,,,,0.0,MS1_match,VUBHWNWEHZFTFD-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c11-9-7-5-3-1-2-4-6-8-10-12/h5-8,11-12H,9-10H2",OCC=CC#CC#CC=CCO,C10H10O2,pos_2MNa,162.06807956,VUBHWNWEHZFTFD,Fatty acids,Fatty acyls,Fatty alcohols,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
4712,3439,-1,,,,0.0,MS1_match,DUKXKHCYGRDGCW-LKJLYNOCSA-N,"InChI=1S/C17H24O5/c1-8-7-12(21-10(3)18)15(19)17(4)6-5-11-9(2)16(20)22-14(11)13(8)17/h9,11-15,19H,1,5-7H2,2-4H3/t9-,11+,12-,13+,14-,15+,17+/m0/s1",C=C1C[C@H](OC(C)=O)[C@@H](O)[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C17H24O5,pos_1_1potassium,308.162373868,DUKXKHCYGRDGCW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
4713,3439,-1,,,,0.0,MS1_match,YIFQICREHIVCKL-YWDFAVMRSA-N,"InChI=1S/C15H19ClO5/c1-6-3-9(17)11-7(2)14(19)21-13(11)12-8(6)4-10(18)15(12,20)5-16/h8-13,17-18,20H,1-5H2/t8-,9-,10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@](O)(CCl)[C@H]21,C15H19ClO5,pos_1_1proton1methanol,314.092101388,YIFQICREHIVCKL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
4714,3439,-1,,,,0.0,MS1_match,VUBHWNWEHZFTFD-UHFFFAOYSA-N,"InChI=1S/C10H10O2/c11-9-7-5-3-1-2-4-6-8-10-12/h5-8,11-12H,9-10H2",OCC=CC#CC#CC=CCO,C10H10O2,pos_2MNa,162.06807956,VUBHWNWEHZFTFD,Fatty acids,Fatty acyls,Fatty alcohols,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
4715,3438,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.70448154,ISDB,IUFQXXXVUIYVOZ-UJNFCWOMSA-N,"InChI=1S/C11H16O2/c1-7-4-3-5-9-8(2)6-13-11(12)10(7)9/h6-7,9-10H,3-5H2,1-2H3/t7-,9-,10+/m0/s1",CC1=COC(=O)[C@@H]2[C@@H](C)CCC[C@@H]12,C11H16O2,,180.115029752,IUFQXXXVUIYVOZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nepeta nuda,5801075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta nuda'],1,3,5.3179261684417725
4716,3437,746,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.22446422,ISDB,DXFCFHRPCRADJT-UHFFFAOYSA-N,"InChI=1S/C14H22O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h6-7,9-11,13H,5,8H2,1-4H3",CC(C)=CCCC(C)C=CC=C(C)C=O,C14H22O,,206.167065324,DXFCFHRPCRADJT,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Plexaurella grisea,83529.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaurella'],['Plexaurella grisea'],2,3,4.397856891155243
4717,3434,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7466972,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.986788749694824
4718,3433,-1,,,,0.2767206,ISDB,SAHYKMIMGJKBCR-YGFWDGJMSA-N,"InChI=1S/C21H32O3/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(22)18(7)21(23)24-20/h11-14,22H,8-10H2,1-7H3/b15-11+,16-12-/t13-,14-/m0/s1",CCC[C@H](C)C[C@H](C)/C=C(C)/C=C(/C)c1oc(=O)c(C)c(O)c1C,C21H32O3,,332.235144884,SAHYKMIMGJKBCR,Polyketides,Linear polyketides,Open-chain polyketides,Siphonaria diemenensis,901145.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Unknown'],['Siphonariidae'],['Unknown'],['Siphonaria'],['Siphonaria diemenensis'],4,0,5.106882452964783
4719,3432,-1,,,,0.4432512,ISDB,,,,,,,WMOAPGQHTURTAQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7730047702789307
4720,3425,74,Amino acids and Peptides,Small peptides,Aminoacids,0.88572276,ISDB,BBIXOODYWPFNDT-CIUDSAMLSA-N,"InChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,C11H20N2O3,,228.1473925,BBIXOODYWPFNDT,Amino acids and Peptides,Small peptides,Dipeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,2,5.542891025543213
4721,3425,74,Amino acids and Peptides,Small peptides,Aminoacids,0.88572276,ISDB,BBIXOODYWPFNDT-CIUDSAMLSA-N,"InChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,C11H20N2O3,,228.1473925,BBIXOODYWPFNDT,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],1,2,5.542891025543213
4722,3425,74,Amino acids and Peptides,Small peptides,Aminoacids,0.88572276,ISDB,BBIXOODYWPFNDT-CIUDSAMLSA-N,"InChI=1S/C11H20N2O3/c1-3-7(2)9(12)10(14)13-6-4-5-8(13)11(15)16/h7-9H,3-6,12H2,1-2H3,(H,15,16)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)O,C11H20N2O3,,228.1473925,BBIXOODYWPFNDT,Amino acids and Peptides,Small peptides,Dipeptides,Leishmania donovani,766598.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Leishmania'],['Leishmania donovani'],1,2,5.542891025543213
4723,3421,-1,,,,0.36108652,ISDB,OTWNESLTEBIZNM-JNBORBBOSA-N,"InChI=1S/C21H36O3/c1-14(11-19(23)24-6)7-9-20(4)15(2)8-10-21(5)16(3)12-17(22)13-18(20)21/h12,14-15,17-18,22H,7-11,13H2,1-6H3/t14-,15-,17-,18-,20+,21+/m1/s1",COC(=O)C[C@H](C)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=C[C@@H](O)C[C@H]12,C21H36O3,,336.266445012,OTWNESLTEBIZNM,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Cistus populifolius,752029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus populifolius'],1,0,2.444346070289612
4724,3418,-1,,,,0.37625873,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.505034923553467
4725,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-IRDZEPHTSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.1475116519999,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
4726,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.147511652,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
4727,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.147511652,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
4728,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-IRDZEPHTSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.1475116519999,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
4729,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.147511652,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
4730,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.147511652,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
4731,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-IRDZEPHTSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.1475116519999,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
4732,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.147511652,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
4733,3414,381,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KKSYAZCUYVRKML-UHFFFAOYSA-N,"InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C1C(O)CC2(C)O,C17H26O11,pos_1_1proton1ethylamine,406.147511652,KKSYAZCUYVRKML,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
4734,3412,607,,,,0.2945124,ISDB,,,,,,,MAEAHJWRAJIOQG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1780495643615723
4735,3411,198,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.5058289,ISDB,,,,,,,OIMWFEZCTFSFNB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.023315668106079
4736,3410,-1,,,,0.73197997,ISDB,JIYAONITMKZUHD-NPJHKJLMSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8-9,11-12,14,17,19H,2-5,7,10,13,15-16H2,1H3,(H,20,21)/b8-6+,12-9+,14-11+/t17-/m0/s1",CCCCC/C=C/C=C/[C@H](O)C/C=C/CCCCC(=O)O,C18H30O3,,294.21949482,JIYAONITMKZUHD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Sinularia numerosa,684963.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia numerosa'],2,0,4.927919864654541
4737,3409,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7449398,ISDB,PXOYOCNNSUAQNS-UHFFFAOYSA-N,"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3",C=C1C(=O)OC2CC3(C)CCCC(C)C3=CC12,C15H20O2,,232.14632988,PXOYOCNNSUAQNS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea,1083132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Unknown'],7,2,10.979759216308594
4738,3409,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7449398,ISDB,PXOYOCNNSUAQNS-SQWGHXPGSA-N,"InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11-,13+,15+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]12,C15H20O2,,232.14632988,PXOYOCNNSUAQNS,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,2,10.979759216308594
4739,3407,-1,,,,0.0,MS1_match,NISPVUDLMHQFRQ-MKIKIEMVSA-N,"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H42O7,pos_2MFe,514.2930536839999,NISPVUDLMHQFRQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
4740,3407,-1,,,,0.0,MS1_match,NISPVUDLMHQFRQ-MKIKIEMVSA-N,"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H42O7,pos_2MFe,514.2930536839999,NISPVUDLMHQFRQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Conobea scoparioides,6072828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Conobea'],['Conobea scoparioides'],6,0,6.0
4741,3407,-1,,,,0.0,MS1_match,NISPVUDLMHQFRQ-MKIKIEMVSA-N,"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H42O7,pos_2MFe,514.2930536839999,NISPVUDLMHQFRQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
4742,3407,-1,,,,0.0,MS1_match,NISPVUDLMHQFRQ-MKIKIEMVSA-N,"InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1",CC(C)(O)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,C30H42O7,pos_2MFe,514.2930536839999,NISPVUDLMHQFRQ,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Conobea scoparioides,6072828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Conobea'],['Conobea scoparioides'],6,0,6.0
4743,3405,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,NYSFRGDHQBQCLO-SQWANPQRSA-N,"InChI=1S/C15H24O/c1-10-5-4-6-11(8-16)7-12-13-14(2,3)9-15(10,12)13/h11-13,16H,1,4-9H2,2-3H3/t11?,12-,13-,15-/m0/s1",C=C1CCCC(CO)C[C@H]2[C@H]3C(C)(C)C[C@]123,C15H24O,pos_1_minus1proton2sodium,220.182715388,NYSFRGDHQBQCLO,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
4744,3405,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,UUFHSKASMKIFRT-VNHYZAJKSA-N,"InChI=1S/C15H24O/c1-14(2)10-13-12(14)6-5-11-4-3-8-15(13,16)9-7-11/h4,12-13,16H,3,5-10H2,1-2H3/t12-,13+,15-/m1/s1",CC1(C)C[C@H]2[C@H]1CCC1=CCC[C@@]2(O)CC1,C15H24O,pos_1_minus1proton2sodium,220.182715388,UUFHSKASMKIFRT,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
4745,3404,342,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,FKABAWURBLBFLT-DZHOZBSLSA-N,"InChI=1S/C27H34O5/c1-17-13-20-14-21(32-23(29)18-7-4-3-5-8-18)22-25(2,27(20)12-9-19(17)15-27)10-6-11-26(22,16-28)24(30)31/h3-5,7-8,19-22,28H,1,6,9-16H2,2H3,(H,30,31)/t19?,20?,21-,22-,25+,26-,27?/m1/s1",C=C1CC2C[C@@H](OC(=O)c3ccccc3)[C@H]3[C@@](CO)(C(=O)O)CCC[C@]3(C)C23CCC1C3,C27H34O5,pos_2MMg,438.240624188,FKABAWURBLBFLT,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,6.5
4746,3404,342,Terpenoids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,0.0,MS1_match,DQBAMWXMUCSBLO-CADUKSBLSA-N,"InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,21-,24+,25-,26-,27-/m0/s1",C[C@@]12CC[C@]3(C1)[C@H](CC2=O)C[C@@H](OC(=O)c1ccccc1)[C@@H]1[C@]3(C)CCC[C@]1(C)C(=O)O,C27H34O5,pos_2MMg,438.2406241879999,DQBAMWXMUCSBLO,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,6.5
4747,3403,931,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35339582,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,11.913583278656006
4748,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,11.374377012252808
4749,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,11.374377012252808
4750,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],7,3,11.374377012252808
4751,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,11.374377012252808
4752,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea gossypiphora,745641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea gossipiphora'],7,3,11.374377012252808
4753,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],7,3,11.374377012252808
4754,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,11.374377012252808
4755,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,3,11.374377012252808
4756,3400,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.71859425,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,3,11.374377012252808
4757,3399,-1,,,,0.0,MS1_match,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,pos_1_1proton,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,0,8.0
4758,3398,-1,,,,0.6228566,ISDB,RFIYLZGMGGONQR-QFJXAUAASA-N,"InChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO2,,413.329379616,RFIYLZGMGGONQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum orbignianum,6092306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum orbignianum'],8,0,10.491426467895508
4759,3397,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.79448426,ISDB,GDRKZARFCIYVCI-UHFFFAOYSA-N,"InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3",CCCC(O)CC(=O)CCc1ccc(O)c(OC)c1,C15H22O4,,266.151809184,GDRKZARFCIYVCI,Alkaloids,,,Zingiber,730913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Unknown'],4,1,7.677937030792236
4760,3397,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.79448426,ISDB,GDRKZARFCIYVCI-UHFFFAOYSA-N,"InChI=1S/C15H22O4/c1-3-4-12(16)10-13(17)7-5-11-6-8-14(18)15(9-11)19-2/h6,8-9,12,16,18H,3-5,7,10H2,1-2H3",CCCC(O)CC(=O)CCc1ccc(O)c(OC)c1,C15H22O4,,266.151809184,GDRKZARFCIYVCI,Alkaloids,,,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],4,1,7.677937030792236
4761,3396,227,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IAXVXZLOCDEEHV-VAYUHVDPSA-N,"InChI=1S/C25H36O4/c1-6-17(2)23(27)29-22-11-13-24(4)20(9-8-19-12-14-28-15-19)18(3)7-10-21(24)25(22,5)16-26/h6,12,14-15,20-22,26H,3,7-11,13,16H2,1-2,4-5H3/b17-6+/t20-,21+,22-,24-,25-/m1/s1",C=C1CC[C@H]2[C@](C)(CC[C@@H](OC(=O)/C(C)=C/C)[C@]2(C)CO)[C@@H]1CCc1ccoc1,C25H36O4,pos_1_1proton1isopropanol,400.261359632,IAXVXZLOCDEEHV,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia solbrigii,7599156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia solbrigii'],6,3,7.5
4762,3396,227,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IAXVXZLOCDEEHV-SOKBWVMISA-N,"InChI=1S/C25H36O4/c1-6-17(2)23(27)29-22-11-13-24(4)20(9-8-19-12-14-28-15-19)18(3)7-10-21(24)25(22,5)16-26/h6,12,14-15,20-22,26H,3,7-11,13,16H2,1-2,4-5H3/b17-6-/t20-,21+,22-,24+,25-/m1/s1",C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)CO)[C@@H]1CCc1ccoc1,C25H36O4,pos_1_1proton1isopropanol,400.261359632,IAXVXZLOCDEEHV,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia grandis,7599139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia grandis'],6,3,7.5
4763,3396,227,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,LPOCEICDLOVGPQ-SOKBWVMISA-N,"InChI=1S/C25H36O4/c1-6-17(2)23(27)29-16-25(5)21-10-7-18(3)20(9-8-19-12-14-28-15-19)24(21,4)13-11-22(25)26/h6,12,14-15,20-22,26H,3,7-11,13,16H2,1-2,4-5H3/b17-6-/t20-,21+,22-,24+,25-/m1/s1",C=C1CC[C@@H]2[C@@](C)(COC(=O)/C(C)=C\C)[C@H](O)CC[C@@]2(C)[C@@H]1CCc1ccoc1,C25H36O4,pos_1_1proton1isopropanol,400.261359632,LPOCEICDLOVGPQ,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia grandis,7599139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia grandis'],6,3,7.5
4764,3394,-1,,,,0.0,MS1_match,IULOCGVGKDXJLF-QPOKWZOKSA-N,"InChI=1S/C33H48O7/c1-9-33-38-26(17-31(7,40-33)29(4,5)39-33)18(2)22-10-11-23-28-24(16-27(32(22,23)8)37-19(3)34)30(6)13-12-21(35)14-20(30)15-25(28)36/h12-14,18,22-28,36H,9-11,15-17H2,1-8H3/t18-,22+,23-,24-,25+,26+,27-,28-,30-,31+,32+,33-/m0/s1",CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5[C@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5C[C@H](OC(C)=O)[C@]34C)C[C@@](C)(O1)C(C)(C)O2,C33H48O7,pos_1_1proton2acetonitrile,556.340003876,IULOCGVGKDXJLF,Terpenoids,Steroids,Ergostane steroids,Petunia integrifolia,1020641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Petunia'],['Petunia integrifolia'],6,0,6.0
4765,3393,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9773251,ISDB,OQWOHRPOYAVIOK-KTKRTIGZSA-N,"InChI=1S/C17H31NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-10,15H,5-8,11-14H2,1-4H3/b10-9-",CCCCC/C=C\CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C17H31NO4,,313.225308472,OQWOHRPOYAVIOK,Fatty acids,Fatty esters,Fatty acyl carnitines,Paraburkholderia,5902778.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Burkholderiaceae'],['Unknown'],['Burkholderia'],['Unknown'],0,3,5.409300327301025
4766,3386,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,XQQKZIVFXGPJHN-PPPULTNZSA-N,"InChI=1S/C26H42O10/c1-5-26(4,36-25-23(32)22(31)21(30)20(15-28)35-25)11-7-10-18(14-27)9-6-8-16(2)12-19(29)13-17(3)24(33)34/h5,8,10,13,19-23,25,27-32H,1,6-7,9,11-12,14-15H2,2-4H3,(H,33,34)/b16-8+,17-13+,18-10-/t19-,20-,21-,22+,23-,25+,26-/m1/s1",C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)C[C@@H](O)/C=C(\C)C(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H42O10,pos_2_1proton1sodium,514.277797544,XQQKZIVFXGPJHN,Terpenoids,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
4767,3386,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,MKCYAASFWFGIJK-BWBMWEGTSA-N,"InChI=1S/C40H62O15/c1-17-12-28(55-35(49)18(17)2)40(5,50)26-9-8-22-21-7-6-19-13-20(14-27(42)39(19,4)23(21)10-11-38(22,26)3)52-37-34(48)32(46)30(44)25(54-37)16-51-36-33(47)31(45)29(43)24(15-41)53-36/h6,20-34,36-37,41-48,50H,7-16H2,1-5H3/t20-,21+,22+,23+,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,36-,37-,38+,39+,40-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O15,pos_3_2proton1sodium,782.4088712840003,MKCYAASFWFGIJK,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
4768,3386,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,VUQQGHSDHGOYRH-IFUSOADVSA-N,"InChI=1S/C40H62O15/c1-17-11-26(53-36(50)22(17)14-41)18(2)23-7-8-24-21-6-5-19-12-20(13-29(43)40(19,4)25(21)9-10-39(23,24)3)52-38-35(49)33(47)31(45)28(55-38)16-51-37-34(48)32(46)30(44)27(15-42)54-37/h5,18,20-21,23-35,37-38,41-49H,6-16H2,1-4H3/t18-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O15,pos_3_2proton1sodium,782.4088712840003,VUQQGHSDHGOYRH,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
4769,3386,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,LIUXGMCZRMPQQZ-IFUSOADVSA-N,"InChI=1S/C40H62O15/c1-17-11-26(53-36(50)22(17)16-51-37-34(48)32(46)30(44)27(14-41)54-37)18(2)23-7-8-24-21-6-5-19-12-20(52-38-35(49)33(47)31(45)28(15-42)55-38)13-29(43)40(19,4)25(21)9-10-39(23,24)3/h5,18,20-21,23-35,37-38,41-49H,6-16H2,1-4H3/t18-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O15,pos_3_2proton1sodium,782.4088712840003,LIUXGMCZRMPQQZ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
4770,3386,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,ZYUUDMNYEWKQSN-VSYHLBNMSA-N,"InChI=1S/C40H62O15/c1-16-10-25(53-36(50)17(16)2)18(3)21-6-7-22-29-23(8-9-39(21,22)4)40(5)19(12-24(29)42)11-20(13-28(40)43)52-38-35(49)33(47)31(45)27(55-38)15-51-37-34(48)32(46)30(44)26(14-41)54-37/h12,18,20-35,37-38,41-49H,6-11,13-15H2,1-5H3/t18-,20+,21+,22-,23-,24+,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](O)C=C5C[C@@H](O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C40H62O15,pos_3_2proton1sodium,782.408871284,ZYUUDMNYEWKQSN,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,1,6.5
4771,3385,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SRRUXSRMDOJDBH-XJGCVPKSSA-N,"InChI=1S/C32H38O19/c33-7-17-22(39)25(42)28(45)31(49-17)51-30-27(44)23(40)18(8-34)50-32(30)48-16-6-15-19(12(36)5-14(47-15)10-1-3-11(35)4-2-10)24(41)20(16)29-26(43)21(38)13(37)9-46-29/h1-6,13,17-18,21-23,25-35,37-45H,7-9H2/t13-,17+,18+,21-,22+,23+,25-,26+,27-,28+,29-,30+,31-,32+/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C32H38O19,pos_1_1proton,726.200728996,SRRUXSRMDOJDBH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
4772,3385,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,UFCRDXSCWLVMMU-DFEVXSSSSA-N,"InChI=1S/C32H38O19/c33-7-16-21(38)25(42)27(44)29(47-16)20-15(6-14-19(24(20)41)12(37)5-13(46-14)10-1-3-11(36)4-2-10)48-32-30(26(43)22(39)17(8-34)50-32)51-31-28(45)23(40)18(9-35)49-31/h1-6,16-18,21-23,25-36,38-45H,7-9H2/t16-,17-,18-,21-,22-,23-,25+,26+,27-,28+,29-,30-,31-,32-/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C32H38O19,pos_1_1proton,726.200728996,UFCRDXSCWLVMMU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
4773,3384,-1,,,,0.0,MS1_match,KAZMSBSNWWWNPL-QEKTYAEASA-N,"InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C19H34O8,pos_1_1sodium,390.22536804799984,KAZMSBSNWWWNPL,Terpenoids,Apocarotenoids,Megastigmanes,Croton cascarilloides,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,0,6.0
4774,3384,-1,,,,0.0,MS1_match,KAZMSBSNWWWNPL-QEKTYAEASA-N,"InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C19H34O8,pos_1_1sodium,390.22536804799984,KAZMSBSNWWWNPL,Terpenoids,Apocarotenoids,Megastigmanes,Croton cascarilloides,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,0,6.0
4775,3383,-1,,,,0.0,MS1_match,LXZQSRKEZKPRBC-YWQDSBAJSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)43)37(45)35-19-57-41(23-13-31(51-3)39(47)32(14-23)52-4)25(17-55-35)26-18-56-36(38(46)22-8-10-28(44)30(12-22)50-2)20-58-42(26)24-15-33(53-5)40(48)34(16-24)54-6/h7-16,25-26,35-38,41-48H,17-20H2,1-6H3/t25-,26+,35-,36+,37+,38-,41-,42-/m1/s1",COc1cc([C@@H](O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]([C@H]3CO[C@@H]([C@@H](O)c4ccc(O)c(OC)c4)CO[C@@H]3c3cc(OC)c(O)c(OC)c3)CO2)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.30988552,LXZQSRKEZKPRBC,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
4776,3383,-1,,,,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
4777,3383,-1,,,,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
4778,3383,-1,,,,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
4779,3383,-1,,,,0.0,MS1_match,NQKMDFWGODIBLN-PJYBPCBOSA-N,"InChI=1S/C42H50O16/c1-49-29-12-21(10-11-27(29)45)36(47)34(17-43)57-41-30(50-2)13-22(14-31(41)51-3)38-25-19-56-39(26(25)20-55-38)23-15-32(52-4)42(33(16-23)53-5)58-35(18-44)37(48)24-8-7-9-28(46)40(24)54-6/h7-16,25-26,34-39,43-48H,17-20H2,1-6H3/t25-,26-,34+,35+,36+,37-,38+,39+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@H](O)c4cccc(O)c4OC)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_1_minus1proton1iron,810.3098855200001,NQKMDFWGODIBLN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
4780,3382,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton2acetonitrile,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4781,3381,-1,,,,0.0,MS1_match,ILTHPPRTQUWWGU-NXUBFONISA-N,"InChI=1S/C21H22O10/c22-8-17-19(27)20(28)21(9-23,31-17)30-12-5-13(25)18-14(26)7-15(29-16(18)6-12)10-1-3-11(24)4-2-10/h1-6,15,17,19-20,22-25,27-28H,7-9H2/t15-,17+,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.121296904,ILTHPPRTQUWWGU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],7,0,7.0
4782,3379,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)",NCCCCNC(=O)C=Cc1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.517880439758301
4783,3379,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.517880439758301
4784,3379,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5044701,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.517880439758301
4785,3378,-1,,,,0.0,MS1_match,IVMLONFHZYZDNZ-UHFFFAOYSA-N,"InChI=1S/C27H36O/c1-23(2)13-9-16-26(5)18-11-20-27(6)19-10-17-24(3)14-7-8-15-25(4)21-12-22-28/h7-8,10-15,17-22H,9,16H2,1-6H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O,C27H36O,pos_1_1proton1ammonium,376.276615772,IVMLONFHZYZDNZ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4786,3377,-1,,,,0.41804338,ISDB,FGCUSSRGQNHZRW-UMVBOHGHSA-N,"InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15-/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)C[C@H]2C,C15H22O,,218.167065324,FGCUSSRGQNHZRW,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,10.672173500061035
4787,3375,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.982489,ISDB,VVPRQWTYSNDTEA-UHFFFAOYSA-N,"InChI=1S/C13H25NO4/c1-5-6-7-8-13(17)18-11(9-12(15)16)10-14(2,3)4/h11H,5-10H2,1-4H3",CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C13H25NO4,,259.17835828,VVPRQWTYSNDTEA,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,7.429955959320068
4788,3374,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4789,3374,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4790,3373,608,Fatty acids,Fatty Acids and Conjugates,Other Octadecanoids,0.32068866,ISDB,OISFHODBOQNZAG-UHFFFAOYSA-N,"InChI=1S/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)",O=C(O)CCCCCCCC(O)C(O)CCCCCCCCO,C18H36O5,,332.2562742519999,OISFHODBOQNZAG,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],5,2,7.28275465965271
4791,3371,721,Polyketides,Glycerolipids,Wax monoesters,0.0,MS1_match,KIYWRWLZHQZKKD-UHFFFAOYSA-N,"InChI=1S/C7H14O3/c1-4-7(3,9)6(8)10-5-2/h9H,4-5H2,1-3H3",CCOC(=O)C(C)(O)CC,C7H14O3,pos_1_1proton1acetonitrile,146.094294308,KIYWRWLZHQZKKD,Fatty acids,Fatty esters,Wax monoesters,Durio zibethinus,236622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Durio'],['Durio zibethinus'],6,3,7.5
4792,3364,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7000401,ISDB,GBCXPDPXQWPCTG-UHFFFAOYSA-N,"InChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3",CCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1O,C23H38O3,,362.282095076,GBCXPDPXQWPCTG,Polyketides,Aromatic polyketides,Catechols with side chains,Belamcanda chinensis,740491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris domestica'],1,0,3.8001604080200195
4793,3364,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7000401,ISDB,GBCXPDPXQWPCTG-UHFFFAOYSA-N,"InChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3",CCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1O,C23H38O3,,362.282095076,GBCXPDPXQWPCTG,Polyketides,Aromatic polyketides,Catechols with side chains,Iris domestica,740491.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris domestica'],1,0,3.8001604080200195
4794,3360,-1,,,,0.0,MS1_match,MDCGEAGEQVMWPE-AATRIKPKSA-N,"InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,10,12,14H,8H2,1-4H3/b6-5+",CC1=CC(=O)CC(C)(C)C1/C=C/C(C)O,C13H20O2,pos_1_1proton1ammonium,208.14632988,MDCGEAGEQVMWPE,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4795,3360,-1,,,,0.0,MS1_match,ZTJZJYUGOJYHCU-RMKNXTFCSA-N,"InChI=1S/C13H20O2/c1-10(14)6-9-13-11(2,3)7-5-8-12(13,4)15-13/h6,9H,5,7-8H2,1-4H3/b9-6+",CC(=O)/C=C/C12OC1(C)CCCC2(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,ZTJZJYUGOJYHCU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4796,3360,-1,,,,0.0,MS1_match,XPKLONXIXRADCG-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-3-4-5-6-7-11-12(14)8-10(2)9-13(11)15/h8-9,14-15H,3-7H2,1-2H3",CCCCCCc1c(O)cc(C)cc1O,C13H20O2,pos_1_1proton1ammonium,208.14632988,XPKLONXIXRADCG,Polyketides,Aromatic polyketides,Catechols with side chains,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4797,3360,-1,,,,0.0,MS1_match,UPRXEFYRIACHQZ-OMMCCPJFSA-N,"InChI=1S/C13H20O2/c1-5-6-11(15)12-9(2)7-10(14)8-13(12,3)4/h5-6,10,14H,7-8H2,1-4H3/b6-5-/t10-/m0/s1",C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UPRXEFYRIACHQZ,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4798,3360,-1,,,,0.0,MS1_match,UYACSVLHQPEITQ-UHFFFAOYSA-N,"InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3",C=CC(C=C(C)COC(=O)CC)C(=C)C,C13H20O2,pos_1_1proton1ammonium,208.14632988,UYACSVLHQPEITQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
4799,3359,442,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6049581,ISDB,,,,,,,RVNBVQKDPQVSOY,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.419832468032837
4800,3358,-1,,,,0.0,MS1_match,LYGPBZVKGHHTIE-GZTBKJGFSA-N,"InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19+,20-,21+,22+,23-,25+,26-,27+/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,LYGPBZVKGHHTIE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4801,3358,-1,,,,0.0,MS1_match,LYGPBZVKGHHTIE-GZTBKJGFSA-N,"InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19+,20-,21+,22+,23-,25+,26-,27+/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,LYGPBZVKGHHTIE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4802,3358,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4803,3358,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lycianthes synanthera,864336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes synanthera'],6,0,6.0
4804,3358,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4805,3358,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lycianthes synanthera,864336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes synanthera'],6,0,6.0
4806,3358,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-SBDOOABHSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4807,3357,78,Amino acids and Peptides,Small peptides,Fatty alcohols,0.0,MS1_match,RWZYAGGXGHYGMB-UHFFFAOYSA-N,"InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)",Nc1ccccc1C(=O)O,C7H7NO2,pos_2MH,137.047678464,RWZYAGGXGHYGMB,Amino acids and Peptides,Small peptides,Aminoacids,Antirrhinum majus,596457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Antirrhinum'],['Antirrhinum majus'],6,2,7.0
4808,3355,68,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,YHHSONZFOIEMCP-UHFFFAOYSA-O,"InChI=1S/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1",C[N+](C)(C)CCOP(=O)(O)O,C5H15NO4P+,pos_1_1proton,184.07332101009,YHHSONZFOIEMCP,,,,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
4809,3352,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_minus1proton1iron,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4810,3352,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_minus1proton1iron,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4811,3346,-1,,,,0.48811764,ISDB,,,,,,,CPXNGRILBNEVQL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9524705410003662
4812,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,3,7.5
4813,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
4814,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver commutatum,605768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver commutatum'],6,3,7.5
4815,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
4816,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria rostellata,5503542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria rostellata'],6,3,7.5
4817,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria schleicheri,5728019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria schleicheri'],6,3,7.5
4818,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,3,7.5
4819,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,3,7.5
4820,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,3,7.5
4821,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,3,7.5
4822,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,3,7.5
4823,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
4824,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
4825,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,7.5
4826,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,3,7.5
4827,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
4828,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria petteri,5503540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria petteri'],6,3,7.5
4829,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,3,7.5
4830,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
4831,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis thyrsiflora,6130614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis thyrsiflora'],6,3,7.5
4832,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
4833,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KNGKJOJXPBGGOV-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-7-6-15-9-19-18(23-11-24-19)8-14(15)3-2-13-4-5-17-20(16(13)10-21)25-12-22-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3",CN1CCc2cc3c(cc2CCc2ccc4c(c2C1)OCO4)OCO3,C20H21NO4,pos_1_1proton,339.147058152,KNGKJOJXPBGGOV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,3,7.5
4834,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,JAMSSQRMJLGLRL-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-20-19(24-10-25-20)5-11(12)4-16(21)14-8-18(23-3)17(22-2)7-13(14)15/h5-8,15-16H,4,9-10H2,1-3H3",COc1cc2c(cc1OC)C1Cc3cc4c(cc3C2CN1C)OCO4,C20H21NO4,pos_1_1proton,339.147058152,JAMSSQRMJLGLRL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
4835,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,3,7.5
4836,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,3,7.5
4837,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,3,7.5
4838,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-JKSUJKDBSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m0/s1",COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.147058152,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
4839,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,3,7.5
4840,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,3,7.5
4841,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,3,7.5
4842,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-JKSUJKDBSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m0/s1",COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.147058152,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
4843,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZZLZJSUGMWPIBU-OWRIGNJKSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-18(23-2)16(22)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11?,19-/m0/s1",COc1cc2c(cc1O)[C@@H]1C(C)c3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,ZZLZJSUGMWPIBU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
4844,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZZLZJSUGMWPIBU-JEOXALJRSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-18(23-2)16(22)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m0/s1",COc1cc2c(cc1O)[C@H]1[C@@H](C)c3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,ZZLZJSUGMWPIBU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
4845,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,IHNKNZSIZUBHCB-WYRIXSBYSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-16(22)18(23-2)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m1/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)[C@@H](C)[C@@H]21,C20H21NO4,pos_1_1proton,339.147058152,IHNKNZSIZUBHCB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,3,7.5
4846,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,IHNKNZSIZUBHCB-WYRIXSBYSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-16(22)18(23-2)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m1/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)[C@@H](C)[C@@H]21,C20H21NO4,pos_1_1proton,339.147058152,IHNKNZSIZUBHCB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
4847,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
4848,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver commutatum,605768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver commutatum'],6,3,7.5
4849,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,3,7.5
4850,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,3,7.5
4851,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaveraceae,438092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Unknown'],['Unknown'],6,3,7.5
4852,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
4853,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
4854,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1cc2c(cc1OC)[C@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,3,7.5
4855,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KNGKJOJXPBGGOV-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-7-6-15-9-19-18(23-11-24-19)8-14(15)3-2-13-4-5-17-20(16(13)10-21)25-12-22-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3",CN1CCc2cc3c(cc2CCc2ccc4c(c2C1)OCO4)OCO3,C20H21NO4,pos_1_1proton,339.147058152,KNGKJOJXPBGGOV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis orthopoda,6130503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis orthopoda'],6,3,7.5
4856,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
4857,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
4858,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
4859,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
4860,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
4861,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
4862,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ambigua,326188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ambigua'],6,3,7.5
4863,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
4864,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
4865,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
4866,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
4867,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
4868,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
4869,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
4870,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
4871,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
4872,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
4873,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
4874,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
4875,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
4876,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
4877,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
4878,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
4879,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
4880,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
4881,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
4882,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
4883,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
4884,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ambigua,326188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ambigua'],6,3,7.5
4885,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
4886,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
4887,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
4888,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
4889,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
4890,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
4891,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
4892,3342,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YTZIQRTXKBDFKM-HOTGVXAUSA-N,"InChI=1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C)OCO4,C20H21NO4,pos_1_1proton,339.147058152,YTZIQRTXKBDFKM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
4893,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
4894,3341,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1sodium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
4895,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
4896,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
4897,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
4898,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
4899,3341,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1sodium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
4900,3341,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-GYRMMRJHSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9?,11+,12?,13?,14-/m1/s1",C=C1C[C@H](O)C2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@H]2C,C15H18O4,pos_1_1sodium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
4901,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
4902,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
4903,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
4904,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
4905,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
4906,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
4907,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
4908,3341,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1sodium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,0,7.0
4909,3341,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1sodium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,0,7.0
4910,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
4911,3341,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1sodium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,0,7.0
4912,3341,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1sodium,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
4913,3341,-1,,,,0.0,MS1_match,ZTRSVJILTKDCGR-IHWVXMPCSA-N,"InChI=1S/C15H18O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,10-13,17H,1-3,6H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O,C15H18O4,pos_1_1sodium,262.120509056,ZTRSVJILTKDCGR,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
4914,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
4915,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
4916,3341,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-UHFFFAOYSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12,C15H18O4,pos_1_1sodium,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
4917,3341,-1,,,,0.0,MS1_match,OUPKJRAFJRTDMN-HJPYRHJCSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h6,9,11-13,17H,2,4-5H2,1,3H3/t9-,11+,12-,13+,15+/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)C(=O)C=C(C)[C@@H]21,C15H18O4,pos_1_1sodium,262.120509056,OUPKJRAFJRTDMN,Terpenoids,Sesquiterpenoids,Iphionane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
4918,3339,152,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,0.0,MS1_match,LOLOOEMMLLRJKC-ZSAUSMIDSA-N,"InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)[C@@H](CO)C[C@@H](O)C[C@H]2C,C15H26O2,pos_1_1proton1isopropanol,238.193280072,LOLOOEMMLLRJKC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,2,9.0
4919,3331,-1,,,,0.30698842,ISDB,WFNLLLYWGLKLJX-URWUWABHSA-N,"InChI=1S/C17H26O8/c1-16(2)5-8(6-17(3)10(16)4-11(19)25-17)23-15-14(22)13(21)12(20)9(7-18)24-15/h4,8-9,12-15,18,20-22H,5-7H2,1-3H3/t8-,9+,12+,13-,14+,15-,17+/m0/s1",CC1(C)C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]2(C)OC(=O)C=C12,C17H26O8,,358.162767792,WFNLLLYWGLKLJX,Terpenoids,Apocarotenoids,Megastigmanes,Salacia chinensis,380833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Salacia'],['Salacia chinensis'],4,0,5.227953672409058
4920,3329,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.44633362,ISDB,FGDFFHLIMDMCJI-AFYPPJMBSA-N,"InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18-,19-,20-,21-/m0/s1",CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C,C21H34O3,,334.250794948,FGDFFHLIMDMCJI,Terpenoids,Steroids,Pregnane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.785334467887878
4921,3327,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.7557792,ISDB,VPDJBEHQUMUQDG-GFCCVEGCSA-N,"InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-5,7-8,12H,3,6H2,1-2H3,(H,16,17)/t12-/m1/s1",C=C(C(=O)O)[C@H]1C=C2C(C)=CC=C2C(C)=CC1,C15H16O2,,228.115029752,VPDJBEHQUMUQDG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ursinia nudicaulis,6055864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia nudicaulis'],6,3,10.523116827011108
4922,3326,-1,,,,0.0,MS1_match,QCAUJAGNHKVCGL-VYDRJRHOSA-N,"InChI=1S/C15H22N2O5/c18-12-8-22-15(21,14(20)13(12)19)9-17-6-2-4-11(17)10-3-1-5-16-7-10/h1,3,5,7,11-14,18-21H,2,4,6,8-9H2/t11-,12+,13+,14-,15+/m0/s1",O[C@@H]1[C@H](O)CO[C@](O)(CN2CCC[C@H]2c2cccnc2)[C@H]1O,C15H22N2O5,pos_2MK,310.152871804,QCAUJAGNHKVCGL,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
4923,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
4924,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
4925,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
4926,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
4927,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
4928,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
4929,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
4930,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1sodium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
4931,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1sodium,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
4932,3324,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1sodium,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
4933,3322,-1,,,,0.6589505,ISDB,UVLDESQWQRMYKD-MOAZMYQBSA-N,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,,428.29265976,UVLDESQWQRMYKD,Terpenoids,Steroids,Spirostane steroids,Solanum amotapense,726194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amotapense'],8,0,10.635802030563354
4934,3317,-1,,,,0.20750783,ISDB,QXKJTHBWYQHGEY-UEAIFQQQSA-N,"InChI=1S/C25H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2)25(28)26-21-22-29-24(3)27/h16-17,20H,4-15,18-19,21-22H2,1-3H3,(H,26,28)/b17-16+,23-20+",CCCCCCCCCCCCC/C=C/CC/C=C(\C)C(=O)NCCOC(C)=O,C25H45NO3,,407.3399443,QXKJTHBWYQHGEY,Fatty acids,Fatty amides,N-acyl amines,Lyngbya semiplena,648244.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Lyngbya'],['Lyngbya semiplena'],0,0,0.8300313353538513
4935,3316,75,Terpenoids,Diterpenoids,Secoabietane diterpenoids,0.45522928,ISDB,,,,,,,JEOZLTJHDSKQIT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8209171295166016
4936,3315,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.24902377,ISDB,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,9.496095061302185
4937,3313,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C28H56O2,pos_2_2proton2acetonitrile,424.4280310319999,UTOPWMOLSKOLTQ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Malvaviscus arboreus,108599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malvaviscus'],['Malvaviscus arboreus'],6,2,7.0
4938,3307,975,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,0.40974128,ISDB,XLKWRWSHETWXQX-AABGKKOBSA-N,"InChI=1S/C20H33NO/c1-2-3-4-5-6-7-11-14-18-16-20(22)19(21-18)15-17-12-9-8-10-13-17/h8-10,12-13,18-22H,2-7,11,14-16H2,1H3/t18-,19+,20+/m1/s1",CCCCCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1,C20H33NO,,303.256214676,XLKWRWSHETWXQX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Aspergillus candidus,938961.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus candidus'],0,1,2.138965129852295
4939,3306,476,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,KUCVMQMKRICXJC-DEYWJSPQSA-N,"InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/t14-,17-,18+,20-/m0/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1O,C20H18O10,pos_1_1proton1ammonium,418.089996776,KUCVMQMKRICXJC,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon cardinalis,573076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon cardinalis'],6,3,7.5
4940,3306,476,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,KUCVMQMKRICXJC-DEYWJSPQSA-N,"InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/t14-,17-,18+,20-/m0/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1O,C20H18O10,pos_1_1proton1ammonium,418.089996776,KUCVMQMKRICXJC,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon roseus,7053913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon roseus'],6,3,7.5
4941,3306,476,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,0.0,MS1_match,KUCVMQMKRICXJC-DEYWJSPQSA-N,"InChI=1S/C20H18O10/c21-9-4-12(23)10-6-16(30-20-18(27)17(26)14(25)7-28-20)19(29-15(10)5-9)8-1-2-11(22)13(24)3-8/h1-6,14,17-18,20,25-27H,7H2,(H3-,21,22,23,24)/t14-,17-,18+,20-/m0/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1O,C20H18O10,pos_1_1proton1ammonium,418.089996776,KUCVMQMKRICXJC,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon kunthii,998389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon kunthii'],6,3,7.5
4942,3305,-1,,,,0.0,MS1_match,UQBIAGWOJDEOMN-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2",OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1potassium,504.169034944,UQBIAGWOJDEOMN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4943,3305,-1,,,,0.0,MS1_match,UQBIAGWOJDEOMN-UHFFFAOYSA-N,"InChI=1S/C18H32O16/c19-1-4-8(23)11(26)14(16(29)30-4)33-18-15(12(27)9(24)6(3-21)32-18)34-17-13(28)10(25)7(22)5(2-20)31-17/h4-29H,1-3H2",OCC1OC(OC2C(OC3C(O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O,C18H32O16,pos_1_1potassium,504.169034944,UQBIAGWOJDEOMN,Carbohydrates,Saccharides,Disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
4944,3304,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.50213414,ISDB,JLNMEHQAHDSEEE-YSAUQHOWSA-N,"InChI=1S/C18H26O2/c1-13(7-6-8-15(3)19)9-10-17-14(2)11-16(20)12-18(17,4)5/h6-10,16,20H,11-12H2,1-5H3/b8-6+,10-9+,13-7+/t16-/m1/s1",CC(=O)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C,C18H26O2,,274.193280072,JLNMEHQAHDSEEE,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,8.008536577224731
4945,3300,-1,,,,0.41215232,ISDB,,,,,,,ACNBTLJBXZMADP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6486092805862427
4946,3297,-1,,,,0.0,MS1_match,JLNDSXHXXHCLHZ-YRBXTQJASA-N,"InChI=1S/C50H80O24/c1-19-7-10-49(66-17-19)20(2)50(64)31(74-49)12-24-22-6-5-21-11-27(25(54)13-47(21,3)23(22)8-9-48(24,50)4)67-44-39(63)36(60)40(30(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)28(14-51)68-45)41(34(58)29(15-52)69-46)72-43-37(61)32(56)26(55)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3/t19-,20-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45+,46+,47+,48+,49-,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C50H80O24,pos_2_1calcium,1064.5039534400005,JLNDSXHXXHCLHZ,Terpenoids,Steroids,Cholestane steroids,Cestrum nocturnum,1040637.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum nocturnum'],6,0,6.0
4947,3294,1010,,,,0.25530902,ISDB,,,,,,,SLEYKBUTYBQPSN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0212360620498657
4948,3291,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4693151,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Eunicea flexuosa,83530.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Eunicea'],['Eunicea flexuosa'],2,3,5.377260446548462
4949,3291,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4693151,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pseudopterogorgia americana,1079546.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Antillogorgia'],['Antillogorgia americana'],2,3,5.377260446548462
4950,3291,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4693151,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Antillogorgia americana,1079546.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Antillogorgia'],['Antillogorgia americana'],2,3,5.377260446548462
4951,3291,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4693151,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Muriceopsis flavida,352709.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Muriceopsis'],['Muriceopsis flavida'],2,3,5.377260446548462
4952,3291,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4693151,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Plexaura homomalla,309745.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaura'],['Plexaura homomalla'],2,3,5.377260446548462
4953,3291,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4693151,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Eunicea asperula,1084719.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Eunicea'],['Eunicea asperula'],2,3,5.377260446548462
4954,3291,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4693151,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Plexaura nina,3677592.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaura'],['Plexaura nina'],2,3,5.377260446548462
4955,3287,-1,,,,0.6874811,ISDB,,,,,,,NHBRVTKHMMOYTG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.749924421310425
4956,3283,-1,,,,0.36536214,ISDB,IGPXFLTXUCMZOQ-CYEGXJDRSA-N,"InChI=1S/C24H34O7/c1-16(2)8-6-9-17(3)10-7-12-24-22(31-24)14-21(30-23(24)27)20(15-29-19(5)26)11-13-28-18(4)25/h8,10-11,13,20-22H,6-7,9,12,14-15H2,1-5H3/b13-11+,17-10+",CC(=O)O/C=C/C(COC(C)=O)C1CC2OC2(CC/C=C(\C)CCC=C(C)C)C(=O)O1,C24H34O7,,434.230453428,IGPXFLTXUCMZOQ,Terpenoids,Diterpenoids,Phytane diterpenoids,Thuridilla hopei,527238.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Sacoglossa'],['Plakobranchidae'],['Unknown'],['Thuridilla'],['Thuridilla hopei'],4,0,5.461448550224304
4957,3281,211,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,WUUGFSXJNOTRMR-IOSLPCCCSA-N,"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1",CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,C11H15N5O3S,pos_1_1proton,297.08956034,WUUGFSXJNOTRMR,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],8,0,8.0
4958,3280,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,BRBJHQRWXQRMLL-PQGOTGDCSA-N,"InChI=1S/C20H34O3/c1-13(7-10-21)16(22)11-15-14(2)17(23)12-18-19(3,4)8-6-9-20(15,18)5/h7,15-18,21-23H,2,6,8-12H2,1,3-5H3/b13-7+/t15-,16+,17+,18-,20+/m0/s1",C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)/C(C)=C/CO,C20H34O3,pos_2MFe,322.250794948,BRBJHQRWXQRMLL,Terpenoids,Diterpenoids,Labdane diterpenoids,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,1,6.5
4959,3280,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,NRRPVTKXJHEKLP-RJYAXXMKSA-N,"InChI=1S/C20H34O3/c1-17(2)7-4-8-18(3)15-6-5-13-9-19(15,10-14(22)16(17)18)11-20(13,23)12-21/h13-16,21-23H,4-12H2,1-3H3/t13?,14?,15-,16+,18-,19+,20-/m0/s1",CC1(C)CCC[C@]2(C)[C@@H]1C(O)C[C@@]13CC(CC[C@H]12)[C@@](O)(CO)C3,C20H34O3,pos_2MFe,322.250794948,NRRPVTKXJHEKLP,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Calibrachoa parviflora,196189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Calibrachoa'],['Calibrachoa parviflora'],6,1,6.5
4960,3280,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,YJLCVIWLVFUFET-FCVUHANCSA-N,"InChI=1S/C20H34O3/c1-15(2)17-8-11-19(4,22)10-6-7-16(3)13-18(21)14-20(5,23)12-9-17/h6,9-10,12-13,15,17-18,21-23H,7-8,11,14H2,1-5H3/b10-6+,12-9+,16-13+/t17-,18+,19-,20+/m1/s1",C/C1=C\[C@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@](C)(O)/C=C/C1,C20H34O3,pos_2MFe,322.250794948,YJLCVIWLVFUFET,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
4961,3280,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,NQPIZWULBTVUAU-XCJHNLGWSA-N,"InChI=1S/C20H34O3/c1-14(2)16-8-10-19(4,22)13-17(21)12-15(3)6-7-18-20(5,23-18)11-9-16/h8,10,12,14,16-18,21-22H,6-7,9,11,13H2,1-5H3/b10-8+,15-12+/t16-,17+,18-,19-,20-/m0/s1",C/C1=C\[C@@H](O)C[C@@](C)(O)/C=C/[C@H](C(C)C)CC[C@]2(C)O[C@H]2CC1,C20H34O3,pos_2MFe,322.250794948,NQPIZWULBTVUAU,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
4962,3280,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,UGJGMIHFKBLYRL-KGQOWYEGSA-N,"InChI=1S/C20H34O3/c1-14(2)17-8-7-16(4)19(22)9-6-15(3)12-18(21)13-20(5,23)11-10-17/h10-12,14,17-19,21-23H,4,6-9,13H2,1-3,5H3/b11-10+,15-12+/t17-,18+,19+,20+/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)C[C@@H](O)/C=C(\C)CC[C@@H]1O,C20H34O3,pos_2MFe,322.250794948,UGJGMIHFKBLYRL,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
4963,3280,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.0,MS1_match,RRETUGRLLIPRCF-JZOIXNATSA-N,"InChI=1S/C20H34O3/c1-15(2)17-8-7-16(3)18(21)10-14-20(5,23)12-6-11-19(4,22)13-9-17/h6,9,12-13,15,17-18,21-23H,3,7-8,10-11,14H2,1-2,4-5H3/b12-6+,13-9+/t17-,18+,19-,20-/m1/s1",C=C1CC[C@@H](C(C)C)/C=C/[C@](C)(O)C/C=C/[C@@](C)(O)CC[C@@H]1O,C20H34O3,pos_2MFe,322.250794948,RRETUGRLLIPRCF,Terpenoids,Diterpenoids,Cembrane diterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
4964,3279,477,,,,0.46117377,ISDB,,,,,,,KJUNGQXFZYMUOH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8446950912475586
4965,3278,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.47323602,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.892944097518921
4966,3276,745,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YJPZWZRYHLEDNA-KSPKLRDJSA-N,"InChI=1S/C26H28O15/c27-10-3-1-9(2-4-10)23-24(19(33)16-12(29)5-11(28)6-14(16)39-23)41-26-22(36)20(34)18(32)15(40-26)8-38-25-21(35)17(31)13(30)7-37-25/h1-6,13,15,17-18,20-22,25-32,34-36H,7-8H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,pos_1_1proton,580.142820196,YJPZWZRYHLEDNA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
4967,3276,745,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,YJPZWZRYHLEDNA-KSPKLRDJSA-N,"InChI=1S/C26H28O15/c27-10-3-1-9(2-4-10)23-24(19(33)16-12(29)5-11(28)6-14(16)39-23)41-26-22(36)20(34)18(32)15(40-26)8-38-25-21(35)17(31)13(30)7-37-25/h1-6,13,15,17-18,20-22,25-32,34-36H,7-8H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1",O=c1c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C26H28O15,pos_1_1proton,580.142820196,YJPZWZRYHLEDNA,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
4968,3272,-1,,,,0.0,MS1_match,SNECHSBCFLJKND-PVEZAKGCSA-N,"InChI=1S/C12H19NO3/c1-3-8(2)12(15)16-7-13-9-4-10(13)6-11(14)5-9/h3,9-11,14H,4-7H2,1-2H3/b8-3+/t9-,10?,11?/m0/s1",C/C=C(\C)C(=O)OCN1C2CC(O)C[C@@H]1C2,C12H19NO3,pos_1_1proton2acetonitrile,225.136493468,SNECHSBCFLJKND,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
4969,3271,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.62233543,ISDB,KOMUHHCFAXYRPO-DGHBBABESA-N,"InChI=1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/t15-,18-,20+,21-,22+/m1/s1",COc1cc(-c2cc(=O)c3c(O)c([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc3o2)ccc1O,C22H22O11,,462.1162115239998,KOMUHHCFAXYRPO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,11.989341735839844
4970,3270,-1,,,,0.25981316,ISDB,XVQDCCGQSOTQBN-UHFFFAOYSA-N,"InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)CO,C25H36O2,,368.271530392,XVQDCCGQSOTQBN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.039252638816833
4971,3266,353,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,0.62066174,ISDB,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.982646942138672
4972,3265,-1,,,,0.30047375,ISDB,NMDKNHOJRXLMGG-BECBKZTQSA-N,"InChI=1S/C19H28O8/c1-10-6-11(21)7-17(2,3)19(10)5-4-18(27-19)9-24-16-15(26-18)14(23)13(22)12(8-20)25-16/h6,12-16,20,22-23H,4-5,7-9H2,1-3H3/t12-,13-,14+,15-,16-,18-,19-/m0/s1",CC1=CC(=O)CC(C)(C)[C@]12CC[C@@]1(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O1)O2,C19H28O8,,384.178417856,NMDKNHOJRXLMGG,Terpenoids,,,Castela polyandra,6128056.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Simaroubaceae'],['Unknown'],['Castela'],['Castela polyandra'],4,0,5.201894998550415
4973,3263,273,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
4974,3263,273,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,RIUMIKAUMHZQMP-CKVGSDHQSA-N,"InChI=1S/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18-,19+/m1/s1",C[C@H](/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,pos_1_1sodium,388.20971798399984,RIUMIKAUMHZQMP,Terpenoids,Apocarotenoids,Megastigmanes,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
4975,3259,-1,,,,0.0,MS1_match,MXKAFWGWKGCIIB-HSNKUXOKSA-N,"InChI=1S/C8H16O4/c1-3-11-6-4-7(9)12-5(2)8(6)10/h5-10H,3-4H2,1-2H3/t5-,6-,7+,8-/m0/s1",CCO[C@H]1C[C@H](O)O[C@@H](C)[C@@H]1O,C8H16O4,pos_1_1proton1acetonitrile,176.104858992,MXKAFWGWKGCIIB,,,,Dianthus chinensis,231868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus chinensis'],6,0,6.0
4976,3258,-1,,,,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,0,6.0
4977,3258,-1,,,,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1sodium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
4978,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-PHXIFTSBSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14-,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon gentianoides,505859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon gentianoides'],6,0,6.0
4979,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon linarioides,998381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon linarioides'],6,0,6.0
4980,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon roseus,7053913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon roseus'],6,0,6.0
4981,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
4982,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,0,6.0
4983,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
4984,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon whippleanus,23649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon whippleanus'],6,0,6.0
4985,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon rydbergii,673713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon rydbergii'],6,0,6.0
4986,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barbatus,899968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barbatus'],6,0,6.0
4987,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,0,6.0
4988,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
4989,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago indica,217276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago indica'],6,0,6.0
4990,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago psyllium,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,0,6.0
4991,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago afra,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,0,6.0
4992,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,0,6.0
4993,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,0,6.0
4994,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago sempervirens,811311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago sempervirens'],6,0,6.0
4995,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon parryi,465960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon parryi'],6,0,6.0
4996,3258,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barrettiae,543219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barrettiae'],6,0,6.0
4997,3258,-1,,,,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1sodium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,0,6.0
4998,3258,-1,,,,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1sodium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
4999,3258,-1,,,,0.0,MS1_match,OQQDSUSKGYTVLM-BTANCPAZSA-N,"InChI=1S/C16H24O9/c1-6-2-9(18)11-7(6)4-23-5-8(11)15(22)25-16-14(21)13(20)12(19)10(3-17)24-16/h5-7,9-14,16-21H,2-4H2,1H3/t6-,7-,9-,10-,11+,12-,13+,14-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2C(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=COC[C@@H]21,C16H24O9,pos_1_1sodium,360.142032348,OQQDSUSKGYTVLM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,0,6.0
5000,3253,-1,,,,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
5001,3253,-1,,,,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
5002,3250,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,WHUUTDBJXJRKMK-VKHMYHEASA-N,"InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1",N[C@@H](CCC(=O)O)C(=O)O,C5H9NO4,pos_1_1proton,147.053157768,WHUUTDBJXJRKMK,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,7.5
5003,3249,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
5004,3249,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
5005,3249,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
5006,3249,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
5007,3249,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
5008,3249,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_1_1sodium,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
5009,3248,-1,,,,0.0,MS1_match,QCOSAYZZNVASNN-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-11-6-5-9(7-13(11)24-2)12-8-10(20)14-15(21)18(25-3)16(22)19(26-4)17(14)27-12/h5-8,21-22H,1-4H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(O)c(OC)c3o2)cc1OC,C19H18O8,pos_1_1sodium,374.100167536,QCOSAYZZNVASNN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,0,6.0
5010,3248,-1,,,,0.0,MS1_match,GWQDOJFHKGUWPV-UXFCLIIPSA-N,"InChI=1S/C16H22O9/c1-6-2-3-7-8(5-23-15(22)10(6)7)14(21)25-16-13(20)12(19)11(18)9(4-17)24-16/h7-9,11-13,16-20H,2-5H2,1H3/t7-,8+,9+,11+,12-,13+,16-/m0/s1",CC1=C2C(=O)OC[C@@H](C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CC1,C16H22O9,pos_1_1potassium,358.126382284,GWQDOJFHKGUWPV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
5011,3247,-1,,,,0.0,MS1_match,XLIFCYLFFHWALC-ACQUYQLJSA-N,"InChI=1S/C21H32O7/c1-11(10-27-20-19(26)18(25)17(24)16(9-22)28-20)14-8-21(3)12(2)5-4-6-13(21)7-15(14)23/h7,10,12,14,16-20,22,24-26H,4-6,8-9H2,1-3H3/t12-,14-,16+,17+,18-,19+,20+,21+/m0/s1",CC(=CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C,C21H32O7,pos_1_1sodium,396.214803364,XLIFCYLFFHWALC,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon velatum,5794280.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon velatum'],6,0,6.0
5012,3247,-1,,,,0.0,MS1_match,USLIXTLJRXGPBH-KUPNZVSOSA-N,"InChI=1S/C21H32O7/c1-12(2)18-17(26-14(4)23)10-16(11-25-13(3)22)8-7-9-21(6)20(28-21)19(18)27-15(5)24/h8,12,17-20H,7,9-11H2,1-6H3/b16-8+/t17-,18+,19+,20-,21-/m1/s1",CC(=O)OC/C1=C/CC[C@@]2(C)O[C@@H]2[C@@H](OC(C)=O)[C@@H](C(C)C)[C@H](OC(C)=O)C1,C21H32O7,pos_1_1sodium,396.214803364,USLIXTLJRXGPBH,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Pulicaria canariensis,253253.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria canariensis'],6,0,6.0
5013,3247,-1,,,,0.0,MS1_match,JAAHNMMVUXTONO-JGOFBEHASA-N,"InChI=1S/C21H32O7/c1-7-11(2)19(23)28-18-17-15(14(5)20(24)27-17)9-8-12(3)21(18,25)16(22)10-13(4)26-6/h11-13,15,17-18,25H,5,7-10H2,1-4,6H3/t11?,12-,13?,15+,17+,18-,21+/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](C)[C@@](O)(C(=O)CC(C)OC)[C@H]2OC(=O)C(C)CC,C21H32O7,pos_1_1sodium,396.214803364,JAAHNMMVUXTONO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ratibida columnifera,661692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Ratibida'],['Ratibida columnifera'],6,0,6.0
5014,3247,-1,,,,0.0,MS1_match,OMBKFHNXWHDAKA-JZPUQMNRSA-N,"InChI=1S/C21H32O7/c1-14(2)21(25)8-7-19(13-27-17(5)23)12-20(28-18(6)24)11-15(3)9-10-26-16(4)22/h9,12,20-21,25H,1,7-8,10-11,13H2,2-6H3/b15-9-,19-12-/t20-,21+/m0/s1",C=C(C)[C@H](O)CC/C(=C/[C@H](C/C(C)=C\COC(C)=O)OC(C)=O)COC(C)=O,C21H32O7,pos_1_1sodium,396.214803364,OMBKFHNXWHDAKA,Terpenoids,Diterpenoids,Phytane diterpenoids,Tanacetum densum,725991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum densum'],6,0,6.0
5015,3247,-1,,,,0.0,MS1_match,APEPJYDHTDGGGS-CBTHBWIPSA-N,"InChI=1S/C21H32O7/c1-15(9-11-26-16(2)22)12-20(28-18(4)24)13-19(14-27-17(3)23)8-7-10-21(5,6)25/h7,9-10,13,20,25H,8,11-12,14H2,1-6H3/b10-7+,15-9-,19-13-/t20-/m1/s1",CC(=O)OC/C=C(/C)C[C@H](/C=C(/C/C=C/C(C)(C)O)COC(C)=O)OC(C)=O,C21H32O7,pos_1_1sodium,396.214803364,APEPJYDHTDGGGS,Terpenoids,,,Tanacetum densum,725991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum densum'],6,0,6.0
5016,3244,-1,,,,0.0,MS1_match,VDGVSLYORGPBOK-ZNJBIABSSA-N,"InChI=1S/C21H34O9/c1-10(18(26)27)11-4-6-20(2)7-5-14(21(3,28)13(20)8-11)30-19-17(25)16(24)15(23)12(9-22)29-19/h11-17,19,22-25,28H,1,4-9H2,2-3H3,(H,26,27)/t11-,12-,13-,14+,15-,16+,17-,19+,20+,21-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(O)[C@@H]2C1,C21H34O9,pos_1_1sodium,430.220282668,VDGVSLYORGPBOK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
5017,3242,964,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton1ethylamine,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5018,3240,-1,,,,0.0,MS1_match,QHRLSLOEICSBNJ-MIJLFIHUSA-N,"InChI=1S/C31H36O11/c1-36-23-10-16(8-9-21(23)33)28-19-14-41-29(20(19)15-40-28)17-11-24(37-2)31(25(12-17)38-3)42-26(13-32)27(35)18-6-5-7-22(34)30(18)39-4/h5-12,19-20,26-29,32-35H,13-15H2,1-4H3/t19-,20-,26+,27+,28+,29+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H](CO)[C@@H](O)c3cccc(O)c3OC)c(OC)c2)ccc1O,C31H36O11,pos_1_1sodium,584.2257619719999,QHRLSLOEICSBNJ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
5019,3234,-1,,,,0.36816302,ISDB,HRAQMGWTPNOILP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",CCOC(=O)c1ccc(OCC)cc1,C11H14O3,,194.094294308,HRAQMGWTPNOILP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],1,0,2.4726520776748657
5020,3234,-1,,,,0.36816302,ISDB,HRAQMGWTPNOILP-UHFFFAOYSA-N,"InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3",CCOC(=O)c1ccc(OCC)cc1,C11H14O3,,194.094294308,HRAQMGWTPNOILP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],1,0,2.4726520776748657
5021,3233,-1,,,,0.24801715,ISDB,,,,,,,LFJNIBOBOBTELD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9920685887336731
5022,3229,-1,,,,0.0,MS1_match,ZDXPYRJPNDTMRX-VKHMYHEASA-N,"InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1",NC(=O)CC[C@H](N)C(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,ZDXPYRJPNDTMRX,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
5023,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza latifolia,709882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza latifolia'],6,0,6.0
5024,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza alta,97214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza alta'],6,0,6.0
5025,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza officinalis,709884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza officinalis'],6,0,6.0
5026,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza glaberrima,709876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza glaberrima'],6,0,6.0
5027,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
5028,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza perennis,712343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza perennis'],6,0,6.0
5029,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza minuta,883511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza minuta'],6,0,6.0
5030,3229,-1,,,,0.0,MS1_match,CXISPYVYMQWFLE-GSVOUGTGSA-N,"InChI=1S/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)/t3-/m1/s1",C[C@@H](N)C(=O)NCC(=O)O,C5H10N2O3,pos_2MCH3CNNa,146.06914218,CXISPYVYMQWFLE,Amino acids and Peptides,Small peptides,Dipeptides,Oryza punctata,709892.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza punctata'],6,0,6.0
5031,3227,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-LSSWKVNRSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3-/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia dubia,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
5032,3227,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-TVKJYDDYSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/t10-,12-,13+,14-,15-/m1/s1",O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia velutina,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
5033,3227,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-LSSWKVNRSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/b6-3-/t10-,12-,13+,14-,15-/m1/s1",O=C(/C=C\c1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia dubia,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
5034,3227,-1,,,,0.0,MS1_match,GKUSDFCBGXFHIL-TVKJYDDYSA-N,"InChI=1S/C15H18O8/c16-9-4-1-8(2-5-9)3-6-11(17)22-7-10-12(18)13(19)14(20)15(21)23-10/h1-6,10,12-16,18-21H,7H2/t10-,12-,13+,14-,15-/m1/s1",O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C15H18O8,pos_1_1sodium,326.100167536,GKUSDFCBGXFHIL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Petrorhagia velutina,562360.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Petrorhagia'],['Petrorhagia dubia'],6,0,6.0
5035,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,0,6.0
5036,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,0,6.0
5037,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,0,6.0
5038,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
5039,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Meconopsis quintuplinervia,594027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis quintuplinervia'],6,0,6.0
5040,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,0,6.0
5041,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
5042,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,0,6.0
5043,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,0,6.0
5044,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,0,6.0
5045,3225,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-WNZLTNKYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21+/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
5046,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
5047,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,0,6.0
5048,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
5049,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,0,6.0
5050,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,0,6.0
5051,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,0,6.0
5052,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
5053,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Meconopsis quintuplinervia,594027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis quintuplinervia'],6,0,6.0
5054,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,0,6.0
5055,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
5056,3225,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Meconopsis quintuplinervia,594027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis quintuplinervia'],6,0,6.0
5057,3225,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-WNZLTNKYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21+/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
5058,3221,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.30177847,ISDB,ZSISCNCQVRABBK-JOCBIADPSA-N,"InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h11,14-15H,4-10H2,1-3H3/t14-,15-,17-,18-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=O)C=C3CC[C@H]21,C18H26O3,,290.188194692,ZSISCNCQVRABBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Agathis macrophylla,1020069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Araucariaceae'],['Unknown'],['Agathis'],['Agathis macrophylla'],1,3,3.7071138620376587
5059,3220,523,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",O=C(O)CCCCCCCC(=O)O,C9H16O4,pos_2MHNH3,188.104858992,BDJRBEYXGGNYIS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
5060,3220,523,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",O=C(O)CCCCCCCC(=O)O,C9H16O4,pos_2MHNH3,188.104858992,BDJRBEYXGGNYIS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,3,8.5
5061,3220,523,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",O=C(O)CCCCCCCC(=O)O,C9H16O4,pos_2MHNH3,188.104858992,BDJRBEYXGGNYIS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,3,8.5
5062,3217,736,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.51111823,ISDB,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.544472932815552
5063,3214,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5064,3214,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5065,3214,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5066,3214,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1proton1ethylamine,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5067,3212,202,Shikimates and Phenylpropanoids,Stilbenoids,Cinnamic acids and derivatives,0.0,MS1_match,ISOPQIILKNUVRC-UUKZPLQNSA-N,"InChI=1S/C21H28O9/c1-2-3-4-5-10-28-21-20(27)19(26)18(25)16(30-21)12-29-17(24)9-7-13-6-8-14(22)15(23)11-13/h3-4,6-9,11,16,18-23,25-27H,2,5,10,12H2,1H3/b4-3-,9-7+/t16-,18-,19+,20-,21-/m1/s1",CC/C=C\CCO[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C21H28O9,pos_1_1proton1acetonitrile,424.173332476,ISOPQIILKNUVRC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],6,3,7.5
5068,3211,776,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,0.6846997,ISDB,FHNDXUYNRPSKDT-INIZCTEOSA-N,"InChI=1S/C16H22O2/c1-10(2)12-6-7-16(4)9-14(18-5)15(17)11(3)13(16)8-12/h8-10H,6-7H2,1-5H3/t16-/m0/s1",COC1=C[C@]2(C)CCC(C(C)C)=CC2=C(C)C1=O,C16H22O2,,246.161979944,FHNDXUYNRPSKDT,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],4,3,8.23879885673523
5069,3209,-1,,,,0.0,MS1_match,QJIXADDKHNEDBB-JVHRSCIMSA-N,"InChI=1S/C25H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(27)35-23-20(31)18(29)19(30)21(32)24(23)36-25-22(33)17(28)15(26)14-34-25/h15,17-26,28-33H,2-14H2,1H3/t15-,17+,18+,19-,20+,21-,22-,23+,24-,25+/m1/s1",CCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C25H46O11,pos_1_1proton1acetonitrile,522.304012292,QJIXADDKHNEDBB,,,,Solanum lanceolatum,691773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lanceolatum'],8,0,8.0
5070,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
5071,3203,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
5072,3203,-1,,,,0.0,MS1_match,PFDGLXOOSQNAKH-IQXKZXBGSA-N,"InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9-,10+,11+,12+,13-,15-/m1/s1",C=C1[C@@H](O)C[C@H](O)[C@@]2(C)CC[C@H]3[C@@H](OC(=O)[C@@H]3C)[C@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PFDGLXOOSQNAKH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
5073,3203,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-LFYQSXPISA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14+,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
5074,3203,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-LFYQSXPISA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14+,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paniculata,735135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paniculata'],7,0,7.0
5075,3203,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-WVCIDPQESA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14-,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea australis,337140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus chilensis'],7,0,7.0
5076,3203,-1,,,,0.0,MS1_match,UGBHLGXQNHUOHV-UMIWPCRESA-N,"InChI=1S/C15H22O4/c1-7-10-4-3-9(6-16)11-5-12(17)8(2)13(11)14(10)19-15(7)18/h7-8,10,12-14,16-17H,3-6H2,1-2H3/t7-,8-,10+,12-,13+,14+/m0/s1",C[C@@H]1[C@@H]2C(=C(CO)CC[C@H]3[C@H]2OC(=O)[C@H]3C)C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,UGBHLGXQNHUOHV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
5077,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
5078,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea sicula,3894207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sicula'],7,0,7.0
5079,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
5080,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
5081,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
5082,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
5083,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
5084,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
5085,3203,-1,,,,0.0,MS1_match,LWHRXFOPIDTJSG-PFKAGXPPSA-N,"InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-14,16-17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LWHRXFOPIDTJSG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
5086,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
5087,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
5088,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
5089,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea,1030541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Unknown'],7,0,7.0
5090,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum tauricum,795542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum tauricum'],7,0,7.0
5091,3203,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
5092,3203,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QLKRELFBSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12+,13-,14-/m1/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
5093,3203,-1,,,,0.0,MS1_match,OUPKJRAFJRTDMN-HJPYRHJCSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h6,9,11-13,17H,2,4-5H2,1,3H3/t9-,11+,12-,13+,15+/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)C(=O)C=C(C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,OUPKJRAFJRTDMN,Terpenoids,Sesquiterpenoids,Iphionane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
5094,3203,-1,,,,0.0,MS1_match,LASQZSRKRLHSPX-URFZWBKFSA-N,"InChI=1S/C15H22O4/c1-5-14(3)7-6-10-12(11(14)9(2)8-16)19-13(17)15(10,4)18/h5,10-12,16,18H,1-2,6-8H2,3-4H3/t10-,11-,12-,14-,15-/m1/s1",C=C[C@]1(C)CC[C@@H]2[C@@H](OC(=O)[C@]2(C)O)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LASQZSRKRLHSPX,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea,1030541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Unknown'],7,0,7.0
5095,3203,-1,,,,0.0,MS1_match,GSLRFQSAMMVDEI-RYLXROFPSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,10,12-14,16-17H,3,5,7-8H2,1-2H3/b9-4-,11-6+/t10-,12-,13-,14+/m0/s1",C/C1=C/CC/C(CO)=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,GSLRFQSAMMVDEI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
5096,3203,-1,,,,0.0,MS1_match,MQRHMIQHZYPICC-YRTQZTBLSA-N,"InChI=1S/C15H22O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7-13,17H,3-6H2,1-2H3/t8-,9-,10-,11+,12+,13-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@@H](C=O)[C@H]21,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,MQRHMIQHZYPICC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea gradata,6057302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea decipiens'],7,0,7.0
5097,3203,-1,,,,0.0,MS1_match,MQRHMIQHZYPICC-NOVMUXRISA-N,"InChI=1S/C15H22O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7-13,17H,3-6H2,1-2H3/t8-,9+,10-,11+,12+,13-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@H](C=O)[C@H]21,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,MQRHMIQHZYPICC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
5098,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
5099,3203,-1,,,,0.0,MS1_match,TVHFAQKTIGHVST-PVZBEVCSSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10-11(9(3)14(18)19-10)13(17)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10+,11-,12-,13+,15-/m1/s1",C=C[C@]1(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](O)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,TVHFAQKTIGHVST,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
5100,3203,-1,,,,0.0,MS1_match,NYRGUJSEUJUXBF-UHFFFAOYSA-N,"InChI=1S/C15H22O4/c1-11(2)4-3-9-19-15(18)8-6-12-5-7-13(16)14(17)10-12/h5,7,10-11,16-17H,3-4,6,8-9H2,1-2H3",CC(C)CCCOC(=O)CCc1ccc(O)c(O)c1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,NYRGUJSEUJUXBF,Shikimates and Phenylpropanoids,,,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
5101,3203,-1,,,,0.0,MS1_match,QMBKDJABOPPEQF-NJXKZCCBSA-N,"InChI=1S/C15H22O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h8-13,16,18H,1,4-6H2,2-3H3/t8-,9-,10+,11+,12-,13-,15+/m1/s1",C=C1CC[C@H]2[C@@H](OC(=O)[C@@]2(C)O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,QMBKDJABOPPEQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
5102,3203,-1,,,,0.0,MS1_match,ZTRSVJILTKDCGR-IHWVXMPCSA-N,"InChI=1S/C15H18O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,10-13,17H,1-3,6H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,ZTRSVJILTKDCGR,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
5103,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
5104,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,0,7.0
5105,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
5106,3203,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
5107,3203,-1,,,,0.0,MS1_match,PXBZMGHIEDYLOI-JSGCOSHPSA-N,"InChI=1S/C15H22O4/c1-10-4-3-5-14(2)12(10)6-11(7-13(14)18)15(19,8-16)9-17/h7,12,16-17,19H,1,3-6,8-9H2,2H3/t12-,14-/m0/s1",C=C1CCC[C@]2(C)C(=O)C=C(C(O)(CO)CO)C[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PXBZMGHIEDYLOI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,0,7.0
5108,3203,-1,,,,0.0,MS1_match,SQNNWZYJAHLOGG-ABSBZMSDSA-N,"InChI=1S/C17H22O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h9,12-16H,1,3,5-7H2,2,4H3/t9-,12+,13-,14-,15-,16-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@H]3CCC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O4,pos_1_1proton1ammonium,290.151809184,SQNNWZYJAHLOGG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
5109,3203,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
5110,3203,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,0,7.0
5111,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-UHFFFAOYSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
5112,3203,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
5113,3203,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
5114,3203,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-GYRMMRJHSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9?,11+,12?,13?,14-/m1/s1",C=C1C[C@H](O)C2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@H]2C,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
5115,3203,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,0,7.0
5116,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
5117,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
5118,3203,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
5119,3203,-1,,,,0.0,MS1_match,PBXKFMXJVNEHCU-WBSYEDSCSA-N,"InChI=1S/C15H22O4/c1-8-3-4-11-12(8)13-10(9(2)14(17)19-13)5-6-15(11,18)7-16/h9-13,16,18H,1,3-7H2,2H3/t9-,10-,11+,12-,13-,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]2(O)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PBXKFMXJVNEHCU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
5120,3203,-1,,,,0.0,MS1_match,DIFWDYWGFQATQG-UXJUNDEPSA-N,"InChI=1S/C15H22O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h8-13,16-17H,1,4-6H2,2-3H3/t8-,9-,10-,11+,12-,13+,15+/m0/s1",C=C1C[C@H](O)[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,DIFWDYWGFQATQG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
5121,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
5122,3203,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,0,7.0
5123,3203,-1,,,,0.0,MS1_match,LVABKRFKENTQBT-SYPGZIFDSA-N,"InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15+/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@@](C)(CC[C@@H]12)[C@H](O)CC[C@@]3(C)O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LVABKRFKENTQBT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
5124,3203,-1,,,,0.0,MS1_match,SKCZNKOWUHMFNX-BTYLPEKESA-N,"InChI=1S/C17H22O4/c1-8-4-5-11-9(2)6-12(18)14-15(13(8)11)20-16(19)17(14)7-10(3)21-17/h10-15,18H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14-,15-,17+/m1/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@@H]3[C@H](OC(=O)[C@]34C[C@@H](C)O4)[C@@H]12,C17H22O4,pos_1_1proton1ammonium,290.151809184,SKCZNKOWUHMFNX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
5125,3203,-1,,,,0.0,MS1_match,SKCZNKOWUHMFNX-BTYLPEKESA-N,"InChI=1S/C17H22O4/c1-8-4-5-11-9(2)6-12(18)14-15(13(8)11)20-16(19)17(14)7-10(3)21-17/h10-15,18H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14-,15-,17+/m1/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@@H]3[C@H](OC(=O)[C@]34C[C@@H](C)O4)[C@@H]12,C17H22O4,pos_1_1proton1ammonium,290.151809184,SKCZNKOWUHMFNX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus burchardii,404589.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus burchardii'],7,0,7.0
5126,3203,-1,,,,0.0,MS1_match,HJXGUAIRSRWQOH-CXVGIJJFSA-N,"InChI=1S/C15H22O4/c1-7-9-3-4-15(6-18-15)10-5-11(16)8(2)12(10)13(9)19-14(7)17/h7-13,16H,3-6H2,1-2H3/t7-,8+,9+,10+,11-,12-,13-,15-/m0/s1",C[C@H]1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@H]3CC[C@]3(CO3)[C@@H]2C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HJXGUAIRSRWQOH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
5127,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
5128,3203,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
5129,3203,-1,,,,0.0,MS1_match,PBXKFMXJVNEHCU-YZDFOLFKSA-N,"InChI=1S/C15H22O4/c1-8-3-4-11-12(8)13-10(9(2)14(17)19-13)5-6-15(11,18)7-16/h9-13,16,18H,1,3-7H2,2H3/t9-,10+,11-,12+,13+,15-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PBXKFMXJVNEHCU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
5130,3201,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XMOCLSLCDHWDHP-SWLSCSKDSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1",Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2,C15H14O7,pos_1_1proton1methanol,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
5131,3200,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_1proton1sodium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5132,3200,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_1proton1sodium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5133,3200,-1,,,,0.0,MS1_match,ZGVSETXHNHBTRK-KUNLNAFDSA-N,"InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_1proton1sodium,867.498020636,ZGVSETXHNHBTRK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5134,3200,-1,,,,0.0,MS1_match,XDGNTUGBJHWIRF-VJHFHZKPSA-N,"InChI=1S/C45H73NO15/c1-18-13-28(48)31-19(2)30-27(46(31)16-18)15-26-24-8-7-22-14-23(9-11-44(22,5)25(24)10-12-45(26,30)6)58-43-40(61-42-37(54)35(52)33(50)21(4)57-42)38(55)39(29(17-47)59-43)60-41-36(53)34(51)32(49)20(3)56-41/h7,18-21,23-43,47-55H,8-17H2,1-6H3/t18-,19-,20-,21-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43+,44-,45-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO15,pos_2_1proton1sodium,867.4980206360002,XDGNTUGBJHWIRF,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5135,3200,-1,,,,0.0,MS1_match,MBWUSSKCCUMJHO-SXCAMOPPSA-N,"InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20-,21-,22-,24-,25+,26-,27-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO15,pos_2_1proton1sodium,867.498020636,MBWUSSKCCUMJHO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5136,3198,391,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,XXWGUVZXPHHONT-OAOYMFHYSA-N,"InChI=1S/C19H28O2/c1-13(12-20)6-8-18(4)14(2)7-9-19(5)15(3)10-16(21)11-17(18)19/h10,12,14,17H,1,6-9,11H2,2-5H3/t14-,17-,18+,19+/m1/s1",C=C(C=O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12,C19H28O2,pos_1_minus1proton1iron,288.208930136,XXWGUVZXPHHONT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ageratina adenophora,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,3,7.5
5137,3198,391,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,XXWGUVZXPHHONT-OAOYMFHYSA-N,"InChI=1S/C19H28O2/c1-13(12-20)6-8-18(4)14(2)7-9-19(5)15(3)10-16(21)11-17(18)19/h10,12,14,17H,1,6-9,11H2,2-5H3/t14-,17-,18+,19+/m1/s1",C=C(C=O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12,C19H28O2,pos_1_minus1proton1iron,288.208930136,XXWGUVZXPHHONT,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Eupatorium adenophorum,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,3,7.5
5138,3192,81,Terpenoids,Apocarotenoids,Megastigmanes,0.23118593,ISDB,,,,,,,VRQSNFOOJDBOLR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9247437119483948
5139,3190,84,Fatty acids,Fatty amides,N-acyl amines,0.5186183,ISDB,FIGNHNKYVQYJHG-UHFFFAOYSA-N,"InChI=1S/C18H31NO3/c1-4-5-6-9-12-16(20)13-10-7-8-11-14-17(21)19-15-18(2,3)22/h7-8,11,14,22H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)",CCCCCCC(=O)CCC=CC=CC(=O)NCC(C)(C)O,C18H31NO3,,309.230393852,FIGNHNKYVQYJHG,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],1,3,4.574473142623901
5140,3188,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KXPJSAHXIDCYOG-WUMDCVPMSA-N,"InChI=1S/C34H44O20/c35-11-21-25(44)26(45)28(47)33(50-21)53-30-29(52-23(42)6-3-14-1-4-16(37)18(39)9-14)22(12-36)51-34(48-8-7-15-2-5-17(38)19(40)10-15)31(30)54-32-27(46)24(43)20(41)13-49-32/h1-6,9-10,20-22,24-41,43-47H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO,C34H44O20,pos_1_1proton1ammonium,772.242593808,KXPJSAHXIDCYOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
5141,3188,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGFDCNLHAISICV-YGEIKWFRSA-N,"InChI=1S/C34H44O20/c35-11-21-25(43)27(45)29(47)33(51-21)53-30-26(44)22(13-49-23(41)6-3-14-1-4-16(36)18(38)9-14)52-34(48-8-7-15-2-5-17(37)19(39)10-15)31(30)54-32-28(46)24(42)20(40)12-50-32/h1-6,9-10,20-22,24-40,42-47H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C34H44O20,pos_1_1proton1ammonium,772.242593808,NGFDCNLHAISICV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
5142,3187,-1,,,,0.6337643,ISDB,,,,,,,XCADPUVJDQXSTQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.535057306289673
5143,3186,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.3794684,ISDB,FOFLULRCZMEXSF-HLNWXESRSA-N,"InChI=1S/C20H35NO2/c1-3-4-5-6-9-16-14-19(22)18-10-7-8-12-20(18)13-11-17(15-23-2)21(16)20/h16-18H,3-15H2,1-2H3/t16-,17+,18-,20+/m0/s1",CCCCCC[C@H]1CC(=O)[C@@H]2CCCC[C@@]23CC[C@H](COC)N13,C20H35NO2,,321.26677936,FOFLULRCZMEXSF,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Clavelina cylindrica,3645782.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Clavelinidae'],['Unknown'],['Clavelina'],['Clavelina cylindrica'],2,3,5.017873644828796
5144,3176,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.69888556,ISDB,GYHXUCQTTQOORU-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-10-18(22-2)17(20)9-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3",COc1ccc(CN2CCc3cc(OC)c(O)cc3C2)cc1,C18H21NO3,,299.152143532,GYHXUCQTTQOORU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis aurea,3944902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis aurea'],6,3,10.295542240142822
5145,3176,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.69888556,ISDB,GYHXUCQTTQOORU-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-10-18(22-2)17(20)9-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3",COc1ccc(CN2CCc3cc(OC)c(O)cc3C2)cc1,C18H21NO3,,299.152143532,GYHXUCQTTQOORU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,3,10.295542240142822
5146,3176,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.69888556,ISDB,GYHXUCQTTQOORU-UHFFFAOYSA-N,"InChI=1S/C18H21NO3/c1-21-16-5-3-13(4-6-16)11-19-8-7-14-10-18(22-2)17(20)9-15(14)12-19/h3-6,9-10,20H,7-8,11-12H2,1-2H3",COc1ccc(CN2CCc3cc(OC)c(O)cc3C2)cc1,C18H21NO3,,299.152143532,GYHXUCQTTQOORU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,3,10.295542240142822
5147,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,1,7.5
5148,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,1,7.5
5149,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,1,7.5
5150,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,1,7.5
5151,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,1,7.5
5152,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,1,7.5
5153,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,1,7.5
5154,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea linifolia,528737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea linifolia'],7,1,7.5
5155,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,1,7.5
5156,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,PHJYCLCTXRJHJZ-SMLCLMEVSA-N,"InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2/t13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,PHJYCLCTXRJHJZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,1,7.5
5157,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,1,7.5
5158,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,1,7.5
5159,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,1,7.5
5160,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,1,7.5
5161,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,1,7.5
5162,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,1,7.5
5163,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,1,7.5
5164,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,1,7.5
5165,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,1,7.5
5166,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,1,7.5
5167,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,1,7.5
5168,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,1,7.5
5169,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,1,7.5
5170,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,1,7.5
5171,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,1,7.5
5172,3173,551,Terpenoids,Diterpenoids,Neolignans,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,1,7.5
5173,3171,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
5174,3166,447,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.525394,ISDB,DSXFEBWYDMBLBH-BITCUVMXSA-N,"InChI=1S/C13H18O3/c1-7-5-11(14)13(15)10-4-8(2)12(16-3)6-9(7)10/h4,6-7,11,13-15H,5H2,1-3H3/t7-,11+,13-/m1/s1",COc1cc2c(cc1C)[C@@H](O)[C@@H](O)C[C@H]2C,C13H18O3,,222.125594436,DSXFEBWYDMBLBH,Terpenoids,,,Aristolochia littoralis,859241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia littoralis'],0,1,2.601576089859009
5175,3166,447,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.525394,ISDB,DSXFEBWYDMBLBH-BITCUVMXSA-N,"InChI=1S/C13H18O3/c1-7-5-11(14)13(15)10-4-8(2)12(16-3)6-9(7)10/h4,6-7,11,13-15H,5H2,1-3H3/t7-,11+,13-/m1/s1",COc1cc2c(cc1C)[C@@H](O)[C@@H](O)C[C@H]2C,C13H18O3,,222.125594436,DSXFEBWYDMBLBH,Terpenoids,,,Aristolochia elegans,80342.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia elegans'],0,1,2.601576089859009
5176,3159,-1,,,,0.0,MS1_match,LCZMVUQKRUXUPG-UHFFFAOYSA-N,"InChI=1S/C27H48O4/c1-15(2)12-23(29)25(31)16(3)19-8-9-20-18-7-6-17-13-22(28)24(30)14-27(17,5)21(18)10-11-26(19,20)4/h15-25,28-31H,6-14H2,1-5H3",CC(C)CC(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C,C27H48O4,pos_1_1proton1ammonium,436.355260016,LCZMVUQKRUXUPG,Terpenoids,Steroids,Cholestane steroids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
5177,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBHGGYGWZIWCX-UHFFFAOYSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3",C=C1CCC2C(OC(=O)C2(O)CO)C2C1CC(O)C2C,C15H22O5,pos_1_1proton1acetonitrile,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara,991883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Unknown'],7,3,8.5
5178,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BKQBPJIALFPDKG-UBJMXQSSSA-N,"InChI=1S/C17H22O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h9,11-16,19H,1-2,5-6H2,3-4H3/t9-,11+,12+,13+,14+,15-,16-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O5,pos_1_1proton1ammonium,306.146723804,BKQBPJIALFPDKG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
5179,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JZLNEGYYSYMRBG-KLOLGFOXSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15+,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1proton1ammonium,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,3,8.5
5180,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JZLNEGYYSYMRBG-IATJYDTKSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15-,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1proton1ammonium,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,3,8.5
5181,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1proton1ammonium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
5182,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBXGUKUDRCWSKF-KNFRCYCHSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3/t8-,9+,11+,13+,14+,15-,16-/m1/s1",C=C1C[C@H](OC(C)=O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O5,pos_1_1proton1ammonium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
5183,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PJBBLXOPECXDHO-ZYUIHESFSA-N,"InChI=1S/C15H18O5/c1-6-3-9(16)11-7(2)14(18)20-13(11)12-8(6)4-10(17)15(12)5-19-15/h8-13,16-17H,1-5H2/t8-,9-,10-,11+,12-,13-,15?/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)C3(CO3)[C@H]21,C15H18O5,pos_1_1proton1ethylamine,278.115423676,PJBBLXOPECXDHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
5184,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBHGGYGWZIWCX-DEJOPHEWSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13-,15+/m1/s1",C=C1CC[C@@H]2[C@@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,pos_1_1proton1acetonitrile,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5185,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PJBBLXOPECXDHO-YWDFAVMRSA-N,"InChI=1S/C15H18O5/c1-6-3-9(16)11-7(2)14(18)20-13(11)12-8(6)4-10(17)15(12)5-19-15/h8-13,16-17H,1-5H2/t8-,9-,10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21,C15H18O5,pos_1_1proton1ethylamine,278.115423676,PJBBLXOPECXDHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
5186,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PJBBLXOPECXDHO-YWDFAVMRSA-N,"InChI=1S/C15H18O5/c1-6-3-9(16)11-7(2)14(18)20-13(11)12-8(6)4-10(17)15(12)5-19-15/h8-13,16-17H,1-5H2/t8-,9-,10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21,C15H18O5,pos_1_1proton1ethylamine,278.115423676,PJBBLXOPECXDHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
5187,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PJBBLXOPECXDHO-DBRCMHOMSA-N,"InChI=1S/C15H18O5/c1-6-3-9(16)11-7(2)14(18)20-13(11)12-8(6)4-10(17)15(12)5-19-15/h8-13,16-17H,1-5H2/t8-,9-,10-,11+,12-,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@@]3(CO3)[C@H]21,C15H18O5,pos_1_1proton1ethylamine,278.115423676,PJBBLXOPECXDHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea carduiformis,916920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea carduiformis'],7,3,8.5
5188,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBHGGYGWZIWCX-UOHBJPFUSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,pos_1_1proton1acetonitrile,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5189,3157,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1proton1ammonium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,3,8.5
5190,3148,220,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.0,MS1_match,DJFCONHTXULHOP-GJSPGKQCSA-N,"InChI=1S/C24H34O10/c1-14(8-10-25)4-3-5-15(2)23(31)33-13-19-20(28)21(29)22(30)24(34-19)32-11-9-16-6-7-17(26)18(27)12-16/h5-8,12,19-22,24-30H,3-4,9-11,13H2,1-2H3/b14-8+,15-5+/t19-,20-,21+,22-,24-/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H34O10,pos_1_1proton1ammonium,482.215197288,DJFCONHTXULHOP,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,3,7.5
5191,3146,165,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.20591453,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,3,10.323658108711243
5192,3145,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.66658163,ISDB,ABCUJZSRBYAWAE-CDLZWKSISA-N,"InChI=1S/C18H30O4/c1-2-3-11-16(19)14-15-17(20)12-9-7-5-4-6-8-10-13-18(21)22/h9,12,16-17,19-20H,2-8,10-11,13H2,1H3,(H,21,22)/b12-9-/t16-,17+/m1/s1",CCCC[C@@H](O)C#C[C@@H](O)/C=C\CCCCCCCC(=O)O,C18H30O4,,310.21440944,ABCUJZSRBYAWAE,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Coriolopsis gallica,241122.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Polyporales'],['Polyporaceae'],['Unknown'],['Coriolopsis'],['Coriolopsis gallica'],1,2,4.666326522827148
5193,3144,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_1_1proton1ethylamine,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
5194,3144,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_1_1proton1ethylamine,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
5195,3143,-1,,,,0.0,MS1_match,OXPUVXANXMWSSL-MAIAYQQESA-N,"InChI=1S/C24H44O7/c1-2-3-4-11-14-18-15-12-9-7-5-6-8-10-13-16-20(26)31-23-22(28)21(27)19(17-25)30-24(23)29-18/h18-19,21-25,27-28H,2-17H2,1H3/t18-,19-,21-,22+,23-,24-/m1/s1",CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@H]2[C@H](O1)O[C@H](CO)[C@@H](O)[C@@H]2O,C24H44O7,pos_1_1proton1ethylamine,444.308703748,OXPUVXANXMWSSL,,,,Silene gallica,842195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene gallica'],6,0,6.0
5196,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
5197,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,2,8.0
5198,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
5199,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,JXWAQRJFONLTSI-ASDZUOGYSA-N,"InChI=1S/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O13,pos_1_1proton1isopropanol,518.1060407639999,JXWAQRJFONLTSI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
5200,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,2,8.0
5201,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,2,8.0
5202,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,2,8.0
5203,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OGGOZTAYPXBKCH-FFUDPDCJSA-N,"InChI=1S/C27H30O14/c1-10-20(32)21(33)23(35)26(37-10)41-25-18(9-28)40-27(24(36)22(25)34)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,C27H30O14,pos_1_1proton,578.16355564,OGGOZTAYPXBKCH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,2,8.0
5204,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZKIXACXWZQFVAB-KBVHGIRNSA-N,"InChI=1S/C27H30O14/c1-36-13-6-17-20(14(29)8-16(39-17)11-2-4-12(28)5-3-11)18(7-13)40-27-25(35)23(33)22(32)19(41-27)10-38-26-24(34)21(31)15(30)9-37-26/h2-8,15,19,21-28,30-35H,9-10H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26-,27-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C27H30O14,pos_1_1proton,578.16355564,ZKIXACXWZQFVAB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,2,8.0
5205,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZKIXACXWZQFVAB-KBVHGIRNSA-N,"InChI=1S/C27H30O14/c1-36-13-6-17-20(14(29)8-16(39-17)11-2-4-12(28)5-3-11)18(7-13)40-27-25(35)23(33)22(32)19(41-27)10-38-26-24(34)21(31)15(30)9-37-26/h2-8,15,19,21-28,30-35H,9-10H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26-,27-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1,C27H30O14,pos_1_1proton,578.16355564,ZKIXACXWZQFVAB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,2,8.0
5206,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,2,8.0
5207,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,2,8.0
5208,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
5209,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
5210,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RPMNUQRUHXIGHK-PYXJVEIZSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea gossypiphora,745641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea gossipiphora'],7,2,8.0
5211,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,2,8.0
5212,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FMTKDBAFFLJGGS-XZZDIUTQSA-N,"InChI=1S/C27H30O14/c1-10-20(32)23(35)25(41-26-24(36)22(34)21(33)18(9-28)40-26)27(37-10)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21-,22+,23+,24-,25+,26?,27?/m1/s1",C[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C27H30O14,pos_1_1proton,578.16355564,FMTKDBAFFLJGGS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
5213,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FMTKDBAFFLJGGS-XZZDIUTQSA-N,"InChI=1S/C27H30O14/c1-10-20(32)23(35)25(41-26-24(36)22(34)21(33)18(9-28)40-26)27(37-10)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21-,22+,23+,24-,25+,26?,27?/m1/s1",C[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C27H30O14,pos_1_1proton,578.16355564,FMTKDBAFFLJGGS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,2,8.0
5214,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FSUVCZVLSOYPAU-MFYRMPRMSA-N,"InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)17-8-16(30)20-15(29)6-14(7-18(20)40-17)39-25-23(33)22(32)21(31)19(41-25)9-37-26-24(34)27(35,10-28)11-38-26/h2-8,19,21-26,28-29,31-35H,9-11H2,1H3/t19-,21-,22+,23-,24+,25-,26-,27-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1,C27H30O14,pos_1_1proton,578.16355564,FSUVCZVLSOYPAU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,2,8.0
5215,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,2,8.0
5216,3140,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,FKIYLTVJPDLUDL-ANCDJDCVSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10?,18?,20-,21+,22?,23?,24?,25?,26+,27+/m0/s1",CC1O[C@@H](OCC2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)C(O)C(O)[C@@H]2O)C(O)C(O)[C@H]1O,C27H30O14,pos_1_1proton,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,2,8.0
5217,3139,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.48434186,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.43736743927002
5218,3137,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.276346,ISDB,TWBGKCDUZOAOPO-RUZDIDTESA-N,"InChI=1S/C26H46O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28-3)24-22-23(2)29-26(24)27/h22,25H,2,4-21H2,1,3H3/t25-/m1/s1",C=C1C=C([C@@H](CCCCCCCCCCCCCCCCCCC)OC)C(=O)O1,C26H46O3,,406.344695332,TWBGKCDUZOAOPO,Polyketides,,,Cinnamomum tenuifolium,5699220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Cinnamomum'],['Cinnamomum tenuifolium'],4,0,5.105383992195129
5219,3132,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91340935,ISDB,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia amygdaloides,871278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia amygdaloides'],7,3,12.153637409210205
5220,3132,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91340935,ISDB,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,12.153637409210205
5221,3132,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91340935,ISDB,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,12.153637409210205
5222,3131,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.4032439,ISDB,FIFAQBUMNRZWOQ-YIXVSHAOSA-N,"InChI=1S/C19H31NO4/c1-5-6-7-8-9-10-11-14(2)18-19(24-16(21)12-20)17(22-4)15(3)13-23-18/h7-11,15,17-19H,5-6,12-13,20H2,1-4H3/b8-7+,10-9+,14-11+/t15-,17-,18+,19+/m1/s1",CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@@H](C)[C@@H](OC)[C@@H]1OC(=O)CN,C19H31NO4,,337.225308472,FIFAQBUMNRZWOQ,Polyketides,,,Penicillium restrictum,298803.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium restrictum'],1,0,2.612975597381592
5223,3129,-1,,,,0.0,MS1_match,MQPZZRJJCAGMTC-JSGUEGIKSA-N,"InChI=1S/C25H42O5/c1-8-17(3)22(28)30-20-15-18(4)23(5,13-11-16(2)14-21(26)27)19-10-9-12-24(6,29)25(19,20)7/h8,16,18-20,29H,9-15H2,1-7H3,(H,26,27)/b17-8-/t16-,18+,19+,20-,23-,24+,25-/m0/s1",C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC[C@@](C)(O)[C@]12C,C25H42O5,pos_1_1proton1methanol,422.303224444,MQPZZRJJCAGMTC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Pteronia paniculata,7599757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Pteronia'],['Pteronia paniculata'],6,0,6.0
5224,3129,-1,,,,0.0,MS1_match,FRGMVGYYKMAOOX-QURRRCMASA-N,"InChI=1S/C25H42O5/c1-7-18(3)22(28)30-16-23(4)12-8-13-24(5)19(23)11-14-25(6,29)20(24)10-9-17(2)15-21(26)27/h7,17,19-20,29H,8-16H2,1-6H3,(H,26,27)/b18-7-/t17-,19+,20-,23+,24+,25-/m0/s1",C/C=C(/C)C(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@H]2CC[C@H](C)CC(=O)O,C25H42O5,pos_1_1proton1methanol,422.303224444,FRGMVGYYKMAOOX,Terpenoids,Diterpenoids,Labdane diterpenoids,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],6,0,6.0
5225,3129,-1,,,,0.0,MS1_match,ZQCLFYPJCVYMSK-FMXHBDNISA-N,"InChI=1S/C25H42O5/c1-17(2)14-22(28)30-16-23(4)11-7-12-24(5)19(23)10-13-25(6,29)20(24)9-8-18(3)15-21(26)27/h14,18-20,29H,7-13,15-16H2,1-6H3,(H,26,27)/t18-,19-,20+,23-,24-,25+/m1/s1",CC(C)=CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@H]2CC[C@@H](C)CC(=O)O,C25H42O5,pos_1_1proton1methanol,422.303224444,ZQCLFYPJCVYMSK,Terpenoids,Diterpenoids,Labdane diterpenoids,Olearia teretifolia,370557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Olearia'],['Olearia teretifolia'],6,0,6.0
5226,3129,-1,,,,0.0,MS1_match,PAXVNVHHFVFSMM-NKHPGPQMSA-N,"InChI=1S/C25H42O5/c1-7-24(5,30-22-21(28)20(27)18(26)15-29-22)14-11-17-16(2)9-10-19-23(3,4)12-8-13-25(17,19)6/h7,9,17-22,26-28H,1,8,10-15H2,2-6H3/t17-,18-,19-,20-,21+,22-,24-,25+/m0/s1",C=C[C@@](C)(CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O,C25H42O5,pos_1_1proton1methanol,422.303224444,PAXVNVHHFVFSMM,Terpenoids,Diterpenoids,Labdane diterpenoids,Egletes viscosa,493303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Egletes'],['Egletes viscosa'],6,0,6.0
5227,3129,-1,,,,0.0,MS1_match,YWLGRHPRVPRHJD-HZFCWUHPSA-N,"InChI=1S/C25H42O5/c1-7-24(5,30-22-21(28)20(27)18(26)15-29-22)14-11-17-16(2)9-10-19-23(3,4)12-8-13-25(17,19)6/h7,17-22,26-28H,1-2,8-15H2,3-6H3/t17-,18-,19-,20+,21-,22+,24+,25+/m1/s1",C=C[C@@](C)(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O,C25H42O5,pos_1_1proton1methanol,422.303224444,YWLGRHPRVPRHJD,Terpenoids,Diterpenoids,Labdane diterpenoids,Haplopappus diplopappus,5738952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus diplopappus'],6,0,6.0
5228,3129,-1,,,,0.0,MS1_match,QIFUWGZVLWAGTD-FFOFCKSASA-N,"InChI=1S/C26H46O6/c1-8-24(5,32-22-21(29)20(28)19(27)16(2)31-22)14-10-18-25(6)13-9-12-23(3,4)17(25)11-15-26(18,7)30/h8,16-22,27-30H,1,9-15H2,2-7H3/t16-,17-,18+,19+,20-,21+,22-,24-,25-,26+/m0/s1",C=C[C@@](C)(CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O)O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@H]1O,C26H46O6,pos_1_1proton,454.329439192,QIFUWGZVLWAGTD,Terpenoids,Diterpenoids,Labdane diterpenoids,Aster spathulifolius,1009964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster spathulifolius'],6,0,6.0
5229,3129,-1,,,,0.0,MS1_match,IZYHHCDDTQGBQG-XNMSNBQNSA-N,"InChI=1S/C23H38O5/c1-17(2)19(4)14-23(27)18(3)8-6-10-22(16-28-20(5)26)11-7-9-21(15-25)12-13-24/h8,11-12,17,23-25,27H,4,6-7,9-10,13-16H2,1-3,5H3/b18-8+,21-12+,22-11-/t23-/m1/s1",C=C(C[C@@H](O)/C(C)=C/CC/C(=C/CC/C(=C\CO)CO)COC(C)=O)C(C)C,C23H38O5,pos_1_1proton1isopropanol,394.271924316,IZYHHCDDTQGBQG,Terpenoids,Diterpenoids,Phytane diterpenoids,Lasiolaena morii,5920860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Lasiolaena'],['Lasiolaena morii'],6,0,6.0
5230,3129,-1,,,,0.0,MS1_match,QRJSKZLUFINEEQ-KRWDZBQOSA-N,"InChI=1S/C23H38O5/c1-6-19-21(28-23(26-5)20(7-2)22(19)25)16-14-12-10-8-9-11-13-15-17(3)27-18(4)24/h17H,6-16H2,1-5H3/t17-/m0/s1",CCc1c(CCCCCCCCC[C@H](C)OC(C)=O)oc(OC)c(CC)c1=O,C23H38O5,pos_1_1proton1isopropanol,394.271924316,QRJSKZLUFINEEQ,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis hieracioides,596834.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis hieracioides'],6,0,6.0
5231,3129,-1,,,,0.0,MS1_match,PGXFZKIQDJVCQY-VWMRCOHKSA-N,"InChI=1S/C23H38O5/c1-16(10-13-24)8-11-22(3)17(2)9-12-23(4)18(6-5-7-19(22)23)15-28-21(27)14-20(25)26/h6,16-17,19,24H,5,7-15H2,1-4H3,(H,25,26)/t16-,17+,19+,22-,23-/m0/s1",C[C@H](CCO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(COC(=O)CC(=O)O)=CCC[C@H]12,C23H38O5,pos_1_1proton1isopropanol,394.271924316,PGXFZKIQDJVCQY,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis alaternoides,7599820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis alaternoides'],6,0,6.0
5232,3129,-1,,,,0.0,MS1_match,ZDDVYTWRCWFGSQ-USMBNCDMSA-N,"InChI=1S/C23H38O5/c1-15-19(25)12-23(4)18(14-27-16(2)24)7-6-8-20(23)22(15,3)10-9-17-11-21(26-5)28-13-17/h7,15,17,19-21,25H,6,8-14H2,1-5H3/t15-,17+,19-,20-,21+,22+,23+/m1/s1",CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(COC(C)=O)=CCC[C@H]23)CO1,C23H38O5,pos_1_1proton1isopropanol,394.271924316,ZDDVYTWRCWFGSQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis trinervis,217029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis trinervis'],6,0,6.0
5233,3129,-1,,,,0.0,MS1_match,ZDDVYTWRCWFGSQ-USMBNCDMSA-N,"InChI=1S/C23H38O5/c1-15-19(25)12-23(4)18(14-27-16(2)24)7-6-8-20(23)22(15,3)10-9-17-11-21(26-5)28-13-17/h7,15,17,19-21,25H,6,8-14H2,1-5H3/t15-,17+,19-,20-,21+,22+,23+/m1/s1",CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(COC(C)=O)=CCC[C@H]23)CO1,C23H38O5,pos_1_1proton1isopropanol,394.271924316,ZDDVYTWRCWFGSQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis rufidula,7600164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis rufidula'],6,0,6.0
5234,3129,-1,,,,0.0,MS1_match,DGPJCQKLZRTTKI-JKNJWTPCSA-N,"InChI=1S/C23H38O5/c1-15(2)17(4)13-19(25)16(3)9-8-11-22(6)20(27-22)10-12-23(7)21(28-23)14-26-18(5)24/h9,15,19-21,25H,4,8,10-14H2,1-3,5-7H3/b16-9+/t19-,20-,21-,22+,23-/m1/s1",C=C(C[C@@H](O)/C(C)=C/CC[C@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1COC(C)=O)C(C)C,C23H38O5,pos_1_1proton1isopropanol,394.271924316,DGPJCQKLZRTTKI,Polyketides,Linear polyketides,Open-chain polyketides,Heliopsis helianthoides,661690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],6,0,6.0
5235,3125,-1,,,,0.7854524,ISDB,,,,,,,OLNJKAXRBXUBTB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.1418097019195557
5236,3121,-1,,,,0.3141082,ISDB,ZYSZYRLNZATAPP-UHFFFAOYSA-N,"InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h12-13,19,21-22H,2-11,14-18H2,1H3",CCCCCCCCCCCC=CCCCC(=O)OCC(O)CO,C20H38O4,,342.27700969599994,ZYSZYRLNZATAPP,Fatty acids,Glycerolipids,Monoacylglycerols,Foeniculum vulgare,498475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Foeniculum'],['Foeniculum vulgare'],4,0,5.256432771682739
5237,3118,-1,,,,0.0,MS1_match,JKJRUAPMUAVDAH-BKHHCVLPSA-N,"InChI=1S/C28H32O12/c1-11-23(32)15(31)8-18(38-11)22-17(37-2)9-19-21(25(22)34)14(30)7-16(39-19)12-3-5-13(6-4-12)28-27(36)26(35)24(33)20(10-29)40-28/h3-7,9,11,15,18,20,23-24,26-29,31-36H,8,10H2,1-2H3/t11-,15-,18-,20-,23+,24-,26+,27-,28+/m1/s1",COc1cc2oc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1,C28H32O12,pos_2_2sodium,560.189376464,JKJRUAPMUAVDAH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Drymaria cordata,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],6,0,6.0
5238,3118,-1,,,,0.0,MS1_match,JKJRUAPMUAVDAH-BKHHCVLPSA-N,"InChI=1S/C28H32O12/c1-11-23(32)15(31)8-18(38-11)22-17(37-2)9-19-21(25(22)34)14(30)7-16(39-19)12-3-5-13(6-4-12)28-27(36)26(35)24(33)20(10-29)40-28/h3-7,9,11,15,18,20,23-24,26-29,31-36H,8,10H2,1-2H3/t11-,15-,18-,20-,23+,24-,26+,27-,28+/m1/s1",COc1cc2oc(-c3ccc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)cc(=O)c2c(O)c1[C@H]1C[C@@H](O)[C@@H](O)[C@@H](C)O1,C28H32O12,pos_2_2sodium,560.189376464,JKJRUAPMUAVDAH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Drymaria diandra,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],6,0,6.0
5239,3114,-1,,,,0.27808088,ISDB,MWEPRWWNHJVNMU-KNWYRSANSA-N,"InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23(28)25(6)17-22(27)16-24(25,4)5/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,25-/m0/s1",C/C(C=O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C,C25H34O3,,382.250794948,MWEPRWWNHJVNMU,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.112323522567749
5240,3109,382,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,pos_1_1proton1ammonium,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
5241,3108,187,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.47818694,ISDB,GTZCVFVGUGFEME-IWQZZHSRSA-N,"InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1-",O=C(O)/C=C(/CC(=O)O)C(=O)O,C6H6O6,,174.016437912,GTZCVFVGUGFEME,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.412747740745544
5242,3103,439,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.22559531,ISDB,KYKBHRVKONYRBO-AATRIKPKSA-N,"InChI=1S/C9H17NO2/c1-4-5-6(2)8(11)7(3)9(10)12/h5,7-8,11H,4H2,1-3H3,(H2,10,12)/b6-5+",CC/C=C(\C)C(O)C(C)C(N)=O,C9H17NO2,,171.125928784,KYKBHRVKONYRBO,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces cavourensis,601543.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces cavourensis'],0,3,2.4023812413215637
5243,3103,439,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.22559531,ISDB,KYKBHRVKONYRBO-AATRIKPKSA-N,"InChI=1S/C9H17NO2/c1-4-5-6(2)8(11)7(3)9(10)12/h5,7-8,11H,4H2,1-3H3,(H2,10,12)/b6-5+",CC/C=C(\C)C(O)C(C)C(N)=O,C9H17NO2,,171.125928784,KYKBHRVKONYRBO,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces bacillaris,155927.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces bacillaris'],0,3,2.4023812413215637
5244,3102,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HMUJXQRRKBLVOO-CQSZACIVSA-N,"InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m1/s1",COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,HMUJXQRRKBLVOO,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Phrodus bridgesii,383963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Phrodus'],['Phrodus bridgesii'],6,1,6.5
5245,3102,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DJOJDHGQRNZXQQ-AWEZNQCLSA-N,"InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1",COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O,C16H14O5,pos_1_1proton1acetonitrile,286.084123548,DJOJDHGQRNZXQQ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
5246,3099,216,Terpenoids,Meroterpenoids,Catechols with side chains,0.65214324,ISDB,FTDAHSABGDJTEP-ZYHYHPKQSA-N,"InChI=1S/C23H36O3/c1-20(24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21-17-22(25)19-23(26)18-21/h2-3,7,9,17-20,24-26H,4-6,8,10-16H2,1H3/b3-2-,9-7-/t20-/m0/s1",C[C@H](O)CCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1,C23H36O3,,360.266445012,FTDAHSABGDJTEP,Polyketides,Aromatic polyketides,Catechols with side chains,Hansfordia sinuosae,800215.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Xylariales'],['Unknown'],['Unknown'],['Hansfordia'],['Hansfordia sinuosae'],0,3,4.108572959899902
5247,3099,216,Terpenoids,Meroterpenoids,Catechols with side chains,0.65214324,ISDB,FTDAHSABGDJTEP-ZYHYHPKQSA-N,"InChI=1S/C23H36O3/c1-20(24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-21-17-22(25)19-23(26)18-21/h2-3,7,9,17-20,24-26H,4-6,8,10-16H2,1H3/b3-2-,9-7-/t20-/m0/s1",C[C@H](O)CCC/C=C\C/C=C\CCCCCCCc1cc(O)cc(O)c1,C23H36O3,,360.266445012,FTDAHSABGDJTEP,Polyketides,Aromatic polyketides,Catechols with side chains,Ascotricha sinuosae,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,3,4.108572959899902
5248,3095,52,Terpenoids,Meroterpenoids,Tetraketide meroterpenoids,0.42515945,ISDB,PMDCKDXMRHEFLJ-YJRNTSOCSA-N,"InChI=1S/C27H44O8/c1-7-9-10-11-12-13-14-15-23(28)35-24-21(33-25(29)18(3)4)16-20(27(31)32-6)17-22(24)34-26(30)19(5)8-2/h17-19,21-22,24H,7-16H2,1-6H3/t19-,21-,22-,24+/m1/s1",CCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C(=O)OC)C[C@H]1OC(=O)C(C)C,C27H44O8,,496.303618368,PMDCKDXMRHEFLJ,Terpenoids,,,Senecio lividus,962482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio lividus'],4,1,6.2006378173828125
5249,3094,98,Alkaloids,Ornithine alkaloids,Polyamines,0.29775164,ISDB,VZOUDULKCUBJHR-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-15-30-14-1-2-17-32(28(38)12-8-22-6-10-24(34)26(36)20-22)18-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",NCCCNCCCCN(CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,,530.310435064,VZOUDULKCUBJHR,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,11.691006541252136
5250,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
5251,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
5252,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
5253,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
5254,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
5255,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
5256,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
5257,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
5258,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
5259,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
5260,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
5261,3093,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
5262,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,TXYGLCRFBVGENR-KZBASBPBSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,46)32-22-8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,52-21)48-19-39)50-34-31(28(43)23(42)17-47-34)51-33-30(45)29(44)24(16-41)49-33/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,36-,37+,38-,39-,40-/m0/s1",CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,TXYGLCRFBVGENR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5263,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,TXYGLCRFBVGENR-KZBASBPBSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,46)32-22-8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,52-21)48-19-39)50-34-31(28(43)23(42)17-47-34)51-33-30(45)29(44)24(16-41)49-33/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,36-,37+,38-,39-,40-/m0/s1",CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,TXYGLCRFBVGENR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
5264,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,TXYGLCRFBVGENR-PINCFTJASA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,46)32-22-8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,52-21)48-19-39)50-34-31(28(43)23(42)17-47-34)51-33-30(45)29(44)24(16-41)49-33/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22-,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,36-,37+,38-,39-,40-/m0/s1",CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,TXYGLCRFBVGENR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5265,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CTYBKAAFZOINFE-LLXQSHLHSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-16-48-40-18-39(19-49-40)22(32(40)38(21,7)46)8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,39)6)51-33-30(45)31(23(42)17-47-33)52-34-29(44)28(43)24(15-41)50-34/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27+,28+,29-,30-,31+,32+,33+,34+,36+,37-,38+,39+,40-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C40H64O12,pos_2_1proton1sodium,736.439777488,CTYBKAAFZOINFE,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5266,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AGYKYCQDUUPCBZ-ATCHUTDRSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,52-34-31(46)29(44)24(42)17-48-34)32-22-8-9-26-36(5)12-11-27(50-33-30(45)28(43)23(41)16-47-33)35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,51-21)49-19-39/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34+,36-,37+,38-,39-,40-/m0/s1",CC(C)=C[C@H]1C[C@](C)(O[C@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,AGYKYCQDUUPCBZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5267,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AGYKYCQDUUPCBZ-ONOVIMOHSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,52-34-31(46)29(44)24(42)17-48-34)32-22-8-9-26-36(5)12-11-27(50-33-30(45)28(43)23(41)16-47-33)35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,51-21)49-19-39/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,36-,37+,38-,39-,40+/m0/s1",CC(C)=C[C@H]1C[C@](C)(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,AGYKYCQDUUPCBZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
5268,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AGYKYCQDUUPCBZ-KZBASBPBSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,52-34-31(46)29(44)24(42)17-48-34)32-22-8-9-26-36(5)12-11-27(50-33-30(45)28(43)23(41)16-47-33)35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,51-21)49-19-39/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29-,30+,31+,32-,33-,34-,36-,37+,38-,39-,40-/m0/s1",CC(C)=C[C@H]1C[C@](C)(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,AGYKYCQDUUPCBZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5269,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWPFBAAEVCXOY-XQEOOOGISA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-16-48-40-18-39(19-49-40)22(32(40)38(21,7)46)8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,39)6)51-34-31(28(43)23(42)17-47-34)52-33-30(45)29(44)24(15-41)50-33/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,36+,37-,38+,39+,40-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C40H64O12,pos_2_1proton1sodium,736.439777488,GHWPFBAAEVCXOY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5270,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWPFBAAEVCXOY-ZEGCBRIZSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-16-48-40-18-39(19-49-40)22(32(40)38(21,7)46)8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,39)6)51-34-31(28(43)23(42)17-47-34)52-33-30(45)29(44)24(15-41)50-33/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21?,22-,23+,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,36+,37-,38+,39+,40-/m1/s1",CC(C)=CC1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C40H64O12,pos_2_1proton1sodium,736.439777488,GHWPFBAAEVCXOY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
5271,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GHWPFBAAEVCXOY-XQEOOOGISA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-16-48-40-18-39(19-49-40)22(32(40)38(21,7)46)8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,39)6)51-34-31(28(43)23(42)17-47-34)52-33-30(45)29(44)24(15-41)50-33/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22-,23+,24+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,36+,37-,38+,39+,40-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C40H64O12,pos_2_1proton1sodium,736.439777488,GHWPFBAAEVCXOY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5272,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZQOWXUBGLKIVHR-VIXNVIIRSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,46)32-22-8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,52-21)48-19-39)50-33-30(45)31(23(42)17-47-33)51-34-29(44)28(43)24(16-41)49-34/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,36-,37+,38-,39-,40-/m0/s1",CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,ZQOWXUBGLKIVHR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5273,3092,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZQOWXUBGLKIVHR-VIXNVIIRSA-N,"InChI=1S/C40H64O12/c1-20(2)14-21-15-38(7,46)32-22-8-9-26-36(5)12-11-27(35(3,4)25(36)10-13-37(26,6)39(22)18-40(32,52-21)48-19-39)50-33-30(45)31(23(42)17-47-33)51-34-29(44)28(43)24(16-41)49-34/h14,21-34,41-46H,8-13,15-19H2,1-7H3/t21-,22+,23-,24-,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,36-,37+,38-,39-,40-/m0/s1",CC(C)=C[C@H]1C[C@](C)(O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1,C40H64O12,pos_2_1proton1sodium,736.439777488,ZQOWXUBGLKIVHR,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
5274,3091,929,Terpenoids,Flavonoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.28508025,ISDB,KTMZXANPFHMTFM-YHLNPCLLSA-N,"InChI=1S/C31H36O5/c1-21(2)8-6-9-22(3)10-7-18-31(4)19-17-25-27(36-31)20-28(35-5)29(30(25)34)26(33)16-13-23-11-14-24(32)15-12-23/h8,10-17,19-20,32,34H,6-7,9,18H2,1-5H3/b16-13+,22-10+",COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)C=CC(C)(CC/C=C(\C)CCC=C(C)C)O2,C31H36O5,,488.2562742519999,KTMZXANPFHMTFM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Lanxangia tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],1,2,3.1403210163116455
5275,3091,929,Terpenoids,Flavonoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),0.28508025,ISDB,KTMZXANPFHMTFM-YHLNPCLLSA-N,"InChI=1S/C31H36O5/c1-21(2)8-6-9-22(3)10-7-18-31(4)19-17-25-27(36-31)20-28(35-5)29(30(25)34)26(33)16-13-23-11-14-24(32)15-12-23/h8,10-17,19-20,32,34H,6-7,9,18H2,1-5H3/b16-13+,22-10+",COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)C=CC(C)(CC/C=C(\C)CCC=C(C)C)O2,C31H36O5,,488.2562742519999,KTMZXANPFHMTFM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Amomum tsao-ko,698763.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Lanxangia'],['Lanxangia tsaoko'],1,2,3.1403210163116455
5276,3087,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.84077585,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,3,5.86310338973999
5277,3086,-1,,,,0.5067177,ISDB,HODWUFMHAGVDJY-AYZHABTFSA-N,"InChI=1S/C13H22O3/c1-8(14)5-6-10-9(2)12(16)11(15)7-13(10,3)4/h5-6,8,11-12,14-16H,7H2,1-4H3/b6-5+/t8-,11+,12+/m1/s1",CC1=C(/C=C/[C@@H](C)O)C(C)(C)C[C@H](O)[C@H]1O,C13H22O3,,226.156894564,HODWUFMHAGVDJY,Terpenoids,Apocarotenoids,Megastigmanes,Silene baccifera,728693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene baccifera'],4,0,6.0268707275390625
5278,3078,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.60553986,ISDB,VAVQNLQUQMOVEY-UHFFFAOYSA-N,"InChI=1S/C26H28O13/c1-9-19(31)22(34)23(35)26(37-9)39-25-20(32)14(30)8-36-24(25)18-13(29)7-16-17(21(18)33)12(28)6-15(38-16)10-2-4-11(27)5-3-10/h2-7,9,14,19-20,22-27,29-35H,8H2,1H3",CC1OC(OC2C(c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)OCC(O)C2O)C(O)C(O)C1O,C26H28O13,,548.152990956,VAVQNLQUQMOVEY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Phlox drummondii,706216.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Polemoniaceae'],['Unknown'],['Phlox'],['Phlox drummondii'],4,3,7.922159433364868
5279,3077,-1,,,,0.0,MS1_match,YZMXYCYONPBBDJ-KIXUDGOOSA-N,"InChI=1S/C45H76O18/c1-18(17-57-40-36(53)35(52)33(50)29(16-46)61-40)7-12-45(56)19(2)30-28(63-45)15-25-23-14-27(26-13-22(47)8-10-43(26,5)24(23)9-11-44(25,30)6)60-42-38(55)39(32(49)21(4)59-42)62-41-37(54)34(51)31(48)20(3)58-41/h18-42,46-56H,7-17H2,1-6H3/t18-,19-,20-,21+,22-,23+,24-,25-,26+,27-,28-,29+,30-,31-,32+,33+,34+,35-,36+,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1",C[C@@H](CC[C@]1(O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C45H76O18,pos_2_1proton1sodium,904.503165592,YZMXYCYONPBBDJ,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0
5280,3077,-1,,,,0.0,MS1_match,QIFQLOORQYNSPD-BPWOIIAZSA-N,"InChI=1S/C45H76O18/c1-19(17-57-40-37(54)35(52)34(51)30(16-46)61-40)7-12-45(56-6)20(2)31-29(63-45)15-25-23-14-28(26-13-22(47)8-10-43(26,4)24(23)9-11-44(25,31)5)60-42-38(55)39(32(49)21(3)59-42)62-41-36(53)33(50)27(48)18-58-41/h19-42,46-55H,7-18H2,1-6H3/t19-,20-,21+,22-,23+,24-,25-,26+,27+,28-,29-,30+,31-,32+,33-,34+,35-,36+,37+,38+,39-,40+,41-,42-,43+,44-,45+/m0/s1",CO[C@]1(CC[C@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O)[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C,C45H76O18,pos_2_1proton1sodium,904.503165592,QIFQLOORQYNSPD,Terpenoids,Steroids,Furostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0
5281,3077,-1,,,,0.0,MS1_match,DYUJFEFMEZBASA-SYTWWJBZSA-N,"InChI=1S/C45H76O18/c1-19(18-58-41-37(55)35(53)33(51)29(16-46)61-41)6-9-27(48)20(2)31-28(49)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)60-43-39(57)36(54)40(30(17-47)62-43)63-42-38(56)34(52)32(50)21(3)59-42/h19-26,28-43,46-47,49-57H,6-18H2,1-5H3/t19-,20-,21+,22+,23+,24-,25+,26+,28-,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,40+,41+,42+,43-,44+,45+/m1/s1",C[C@H](CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C45H76O18,pos_2_1proton1sodium,904.503165592,DYUJFEFMEZBASA,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0
5282,3074,-1,,,,0.0,MS1_match,PANKHBYNKQNAHN-MQQNZMFNSA-N,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O,C20H24O4,pos_2MMg,328.16745924799994,PANKHBYNKQNAHN,Terpenoids,Apocarotenoids,Miscellaneous apocarotenoids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
5283,3074,-1,,,,0.0,MS1_match,PANKHBYNKQNAHN-MQQNZMFNSA-N,"InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9+,16-10+,17-13+,18-14+",CC(/C=C/C=C(\C)C(=O)O)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)O,C20H24O4,pos_2MMg,328.16745924799994,PANKHBYNKQNAHN,Terpenoids,Apocarotenoids,Miscellaneous apocarotenoids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
5284,3064,-1,,,,0.6963513,ISDB,PVRZXQCESVJIGF-UHFFFAOYSA-N,"InChI=1S/C16H16O6/c1-9-4-10(17)6-12(5-9)22-15-13(16(19)21-3)7-11(18)8-14(15)20-2/h4-8,17-18H,1-3H3",COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1,C16H16O6,,304.094688232,PVRZXQCESVJIGF,Polyketides,Diphenyl ethers (DPEs),Fungal DPEs,Boeremia exigua,30694.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Boeremia'],['Boeremia exigua'],0,0,2.785405158996582
5285,3059,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-QUYVBRFLSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
5286,3059,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-QUYVBRFLSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
5287,3057,-1,,,,0.31269708,ISDB,JSJGGYMCEWCMES-IZBJGVDFSA-N,"InChI=1S/C20H20O5/c1-19-8-16(12-5-6-23-9-12)24-10-14(19)15(21)7-20-11-25-18(22)13(20)3-2-4-17(19)20/h3,5-6,9-10,16-17H,2,4,7-8,11H2,1H3/t16-,17-,19+,20-/m1/s1",C[C@]12C[C@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32,C20H20O5,,340.13107374,JSJGGYMCEWCMES,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis scoparia,7600175.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis scoparia'],6,0,7.250788331031799
5288,3057,-1,,,,0.31269708,ISDB,JSJGGYMCEWCMES-KVPLUYHFSA-N,"InChI=1S/C20H20O5/c1-19-8-16(12-5-6-23-9-12)24-10-14(19)15(21)7-20-11-25-18(22)13(20)3-2-4-17(19)20/h3,5-6,9-10,16-17H,2,4,7-8,11H2,1H3/t16-,17+,19-,20+/m0/s1",C[C@]12C[C@@H](c3ccoc3)OC=C1C(=O)C[C@@]13COC(=O)C1=CCC[C@@H]32,C20H20O5,,340.13107374,JSJGGYMCEWCMES,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Nidorella podocephala,7598379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella podocephala'],6,0,7.250788331031799
5289,3053,-1,,,,0.0,MS1_match,PFTAWBLQPZVEMU-UHFFFAOYSA-N,"InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2,C15H14O6,pos_1_1proton2acetonitrile,290.07903816799995,PFTAWBLQPZVEMU,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5290,3049,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
5291,3049,-1,,,,0.0,MS1_match,QZIOPOIUZGGXKI-KOYXEPTDSA-N,"InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,pos_1_1proton1ethylamine,346.1627677919999,QZIOPOIUZGGXKI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,0,6.0
5292,3044,-1,,,,0.58507323,ISDB,IYGYMKDQCDOMRE-ZWKOTPCHSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1",CN1CCc2cc3c(cc2[C@H]1[C@@H]1OC(=O)c2c1ccc1c2OCO1)OCO3,C20H17NO6,,367.1055872639999,IYGYMKDQCDOMRE,,,,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,0,4.340292930603027
5293,3041,74,Amino acids and Peptides,Small peptides,Aminoacids,0.60504377,ISDB,,,,,,,IMMFKHKTZMTRFR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.420175075531006
5294,3039,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1sodium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
5295,3039,-1,,,,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1sodium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
5296,3038,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5297,3038,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5298,3038,-1,,,,0.0,MS1_match,JWRQVQWBNRGGPK-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)18)3-5-12(19)25-16-15(22)14(21)13(20)11(7-17)24-16/h2-6,11,13-18,20-22H,7H2,1H3",COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073222,JWRQVQWBNRGGPK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5299,3038,-1,,,,0.0,MS1_match,IEMIRSXOYFWPFD-BJGSYIFTSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(3-5-12(18)19)2-4-9(10)24-16-15(22)14(21)13(20)11(7-17)25-16/h2-6,11,13-17,20-22H,7H2,1H3,(H,18,19)/b5-3+/t11-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H20O9,pos_1_1proton1acetonitrile,356.11073221999993,IEMIRSXOYFWPFD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5300,3028,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SKNVKBJSSSJNCI-UIBFFPKISA-N,"InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,C24H28O12,pos_2_2proton,508.1580763359999,SKNVKBJSSSJNCI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
5301,3028,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SKNVKBJSSSJNCI-UIBFFPKISA-N,"InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,C24H28O12,pos_2_2proton,508.1580763359999,SKNVKBJSSSJNCI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
5302,3028,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRYABGKDJFUETA-IGBIHPGTSA-N,"InChI=1S/C24H28O12/c1-23-18-22(32-9-8-24(18,31)19(30)20(23)36-23)35-21-17(29)16(28)15(27)13(34-21)10-33-14(26)7-4-11-2-5-12(25)6-3-11/h2-9,13,15-22,25,27-31H,10H2,1H3/b7-4+/t13-,15+,16+,17-,18+,19+,20-,21-,22-,23+,24+/m0/s1",C[C@]12O[C@H]1[C@@H](O)[C@@]1(O)C=CO[C@@H](O[C@@H]3O[C@@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]12,C24H28O12,pos_2_2proton,508.158076336,PRYABGKDJFUETA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
5303,3028,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AKYYFSOMEOHPPO-LQQBYVAQSA-N,"InChI=1S/C24H28O12/c25-10-24-16-13(17(28)21(24)36-24)7-8-32-22(16)35-23-20(31)19(30)18(29)14(34-23)9-33-15(27)6-3-11-1-4-12(26)5-2-11/h1-8,13-14,16-23,25-26,28-31H,9-10H2/b6-3+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C24H28O12,pos_2_2proton,508.158076336,AKYYFSOMEOHPPO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
5304,3026,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.78819174,ISDB,ASJBAMFLUNNOSV-TZFYIYKDSA-N,"InChI=1S/C23H35NO2/c1-13(2)16-9-10-22(3)15-7-5-14-6-8-17-18(21(25)26-4)11-23(22,19(14)17)20(16)24-12-15/h13,15-18,20,24H,5-12H2,1-4H3/t15-,16-,17+,18+,20+,22+,23+/m1/s1",COC(=O)[C@H]1C[C@]23C4=C(CC[C@@H]5CN[C@H]2[C@@H](C(C)C)CC[C@@]53C)CC[C@H]41,C23H35NO2,,357.26677936,ASJBAMFLUNNOSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum calycinum,816930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum calycinum'],4,3,8.652766942977905
5305,3026,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.78819174,ISDB,ASJBAMFLUNNOSV-PQYFOXTFSA-N,"InChI=1S/C23H35NO2/c1-13(2)16-9-10-22(3)15-7-5-14-6-8-17-18(21(25)26-4)11-23(22,19(14)17)20(16)24-12-15/h13,15-18,20,24H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,22+,23+/m1/s1",COC(=O)[C@@H]1C[C@]23C4=C(CC[C@@H]5CN[C@H]2[C@@H](C(C)C)CC[C@@]53C)CC[C@@H]41,C23H35NO2,,357.26677936,ASJBAMFLUNNOSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum paxianum,5729567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum paxianum'],4,3,8.652766942977905
5306,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
5307,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
5308,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
5309,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
5310,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
5311,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
5312,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
5313,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
5314,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1proton,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
5315,3021,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
5316,3020,1371,Terpenoids,Sesquiterpenoids,Fatty alcohols,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,3,9.5
5317,3020,1371,Terpenoids,Sesquiterpenoids,Fatty alcohols,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
5318,3019,-1,,,,0.32498407,ISDB,FGPOGAUCGOZVPS-XBLVEGMJSA-N,"InChI=1S/C18H26O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h7-10,13-16,19H,2-6,11-12H2,1H3/b8-7+,10-9+",CCCCCC/C=C/C=C/CCc1ccc(O)cc1,C18H26O,,258.198365452,FGPOGAUCGOZVPS,Polyketides,Aromatic polyketides,Catechols with side chains,Piper villiramulum,865488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper villiramulum'],1,0,2.299936294555664
5319,3014,242,Alkaloids,Ornithine alkaloids,Polyamines,0.41925263,ISDB,PMOOGLRNGWRADJ-UHFFFAOYSA-N,"InChI=1S/C29H39N3O8/c1-37-22-16-20(17-23(38-2)28(22)35)8-10-26(33)31-14-6-5-12-30-13-7-15-32-27(34)11-9-21-18-24(39-3)29(36)25(19-21)40-4/h8-11,16-19,30,35-36H,5-7,12-15H2,1-4H3,(H,31,33)(H,32,34)",COc1cc(C=CC(=O)NCCCCNCCCNC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C29H39N3O8,,557.2737152079999,PMOOGLRNGWRADJ,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,10.177010536193848
5320,3013,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5321,3010,-1,,,,0.48164755,ISDB,UHALWYKPVRNOFA-VRXWPRPYSA-N,"InChI=1S/C22H24O7/c1-26-17-6-5-13(8-18(17)27-2)21(24)19-16(11-29-22(19)25)20(23)12-3-4-14-9-28-10-15(14)7-12/h3-8,16,19-21,23-24H,9-11H2,1-2H3/t16-,19-,20+,21+/m0/s1",COc1ccc([C@@H](O)[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc3c(c2)COC3)cc1OC,C22H24O7,,400.152203108,UHALWYKPVRNOFA,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Geranium thunbergii,387579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Geranium'],['Geranium thunbergii'],1,0,2.9265902042388916
5322,3007,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
5323,3007,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
5324,3007,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
5325,3007,-1,,,,0.0,MS1_match,UTECWQIXBMWRRR-AQAQWYRLSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15+,17-,19+,20-,21-,22-,24-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,UTECWQIXBMWRRR,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
5326,3007,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-QUGXUONWSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15+,17-,18-,20+,21-,22-,23+,26-,27-/m1/s1",O=c1c(O[C@H]2O[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
5327,3007,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-HNCGGYICSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27?/m1/s1",O=c1c(OC2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
5328,3007,-1,,,,0.0,MS1_match,FDRQPMVGJOQVTL-HNCGGYICSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,23-,26-,27?/m1/s1",O=c1c(OC2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,FDRQPMVGJOQVTL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum ptychanthum,121202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum ptychanthum'],8,0,8.0
5329,3007,-1,,,,0.0,MS1_match,RDUAJIJVNHKTQC-UJECXLDQSA-N,"InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C27H30O17,pos_1_1sodium,626.1482995,RDUAJIJVNHKTQC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
5330,3001,654,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,IWRAOCFRRTWUDF-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-18-32(28(38)12-8-22-6-10-24(34)26(36)20-22)17-2-1-14-30-15-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",NCCCN(CCCCNCCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_2_1iron,530.310435064,IWRAOCFRRTWUDF,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5331,3001,654,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,MRBLTJLKQIHRTP-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-17-31(27(37)11-7-21-5-9-23(33)25(35)19-21)15-1-2-16-32(18-4-14-30)28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,33-36H,1-4,7-8,11-18,29-30H2",NCCCN(CCCCN(CCCN)C(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_2_1iron,530.310435064,MRBLTJLKQIHRTP,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5332,3001,654,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,VZOUDULKCUBJHR-UHFFFAOYSA-N,"InChI=1S/C28H42N4O6/c29-13-3-15-30-14-1-2-17-32(28(38)12-8-22-6-10-24(34)26(36)20-22)18-4-16-31-27(37)11-7-21-5-9-23(33)25(35)19-21/h5-6,9-10,19-20,30,33-36H,1-4,7-8,11-18,29H2,(H,31,37)",NCCCNCCCCN(CCCNC(=O)CCc1ccc(O)c(O)c1)C(=O)CCc1ccc(O)c(O)c1,C28H42N4O6,pos_2_1iron,530.310435064,VZOUDULKCUBJHR,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5333,2996,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,ATEFPOUAMCWAQS-UHFFFAOYSA-N,"InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H",O=c1ccc2ccc(O)c(O)c2o1,C9H6O4,pos_1_1proton1ethylamine,178.026608672,ATEFPOUAMCWAQS,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
5334,2996,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,KCDXJAYRVLXPFO-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3",COc1cc(C=O)cc(OC)c1O,C9H10O4,pos_1_1proton1acetonitrile,182.0579088,KCDXJAYRVLXPFO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
5335,2995,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CUTXDRAZOCKUFQ-IWRBTPAJSA-N,"InChI=1S/C47H75NO17/c1-19-13-29(60-22(4)51)33-20(2)32-28(48(33)16-19)15-27-25-8-7-23-14-24(9-11-46(23,5)26(25)10-12-47(27,32)6)61-45-42(65-43-39(57)37(55)34(52)21(3)59-43)41(36(54)31(18-50)63-45)64-44-40(58)38(56)35(53)30(17-49)62-44/h7,19-21,24-45,49-50,52-58H,8-18H2,1-6H3/t19-,20-,21-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45+,46-,47-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C47H75NO17,pos_1_1proton,925.50349994,CUTXDRAZOCKUFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,9.5
5336,2993,-1,,,,0.9114568,ISDB,XMGUZQZZMQBVFF-UHFFFAOYSA-N,"InChI=1S/C12H10O6/c1-14-8-6-3-4-7(13)18-9(6)11-12(10(8)15-2)17-5-16-11/h3-4H,5H2,1-2H3",COc1c2c(c3oc(=O)ccc3c1OC)OCO2,C12H10O6,,250.04773804,XMGUZQZZMQBVFF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],4,0,7.645827293395996
5337,2993,-1,,,,0.9114568,ISDB,XMGUZQZZMQBVFF-UHFFFAOYSA-N,"InChI=1S/C12H10O6/c1-14-8-6-3-4-7(13)18-9(6)11-12(10(8)15-2)17-5-16-11/h3-4H,5H2,1-2H3",COc1c2c(c3oc(=O)ccc3c1OC)OCO2,C12H10O6,,250.04773804,XMGUZQZZMQBVFF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia laciniata,821712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia laciniata'],4,0,7.645827293395996
5338,2993,-1,,,,0.9114568,ISDB,XMGUZQZZMQBVFF-UHFFFAOYSA-N,"InChI=1S/C12H10O6/c1-14-8-6-3-4-7(13)18-9(6)11-12(10(8)15-2)17-5-16-11/h3-4H,5H2,1-2H3",COc1c2c(c3oc(=O)ccc3c1OC)OCO2,C12H10O6,,250.04773804,XMGUZQZZMQBVFF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Ruta pinnata,845515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Ruta'],['Ruta pinnata'],4,0,7.645827293395996
5339,2993,-1,,,,0.9114568,ISDB,XMGUZQZZMQBVFF-UHFFFAOYSA-N,"InChI=1S/C12H10O6/c1-14-8-6-3-4-7(13)18-9(6)11-12(10(8)15-2)17-5-16-11/h3-4H,5H2,1-2H3",COc1c2c(c3oc(=O)ccc3c1OC)OCO2,C12H10O6,,250.04773804,XMGUZQZZMQBVFF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia carvifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],4,0,7.645827293395996
5340,2993,-1,,,,0.9114568,ISDB,XMGUZQZZMQBVFF-UHFFFAOYSA-N,"InChI=1S/C12H10O6/c1-14-8-6-3-4-7(13)18-9(6)11-12(10(8)15-2)17-5-16-11/h3-4H,5H2,1-2H3",COc1c2c(c3oc(=O)ccc3c1OC)OCO2,C12H10O6,,250.04773804,XMGUZQZZMQBVFF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia apiacea,119930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia apiacea'],4,0,7.645827293395996
5341,2993,-1,,,,0.9114568,ISDB,XMGUZQZZMQBVFF-UHFFFAOYSA-N,"InChI=1S/C12H10O6/c1-14-8-6-3-4-7(13)18-9(6)11-12(10(8)15-2)17-5-16-11/h3-4H,5H2,1-2H3",COc1c2c(c3oc(=O)ccc3c1OC)OCO2,C12H10O6,,250.04773804,XMGUZQZZMQBVFF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia caruifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],4,0,7.645827293395996
5342,2985,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKHCBYYBLTXYEV-UJPOAAIJSA-N,"InChI=1S/C13H18O6/c14-6-9-10(15)11(16)12(17)13(19-9)18-7-8-4-2-1-3-5-8/h1-5,9-17H,6-7H2/t9-,10-,11+,12-,13-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O,C13H18O6,pos_1_1proton2acetonitrile,270.110338296,GKHCBYYBLTXYEV,Shikimates and Phenylpropanoids,,,Linaria vulgaris,989669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria vulgaris'],6,1,6.5
5343,2984,73,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1acetonitrile,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lagotis yunnanensis,5145175.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Lagotis'],['Lagotis yunnanensis'],7,3,8.5
5344,2983,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ethylamine,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
5345,2983,-1,,,,0.0,MS1_match,QZIOPOIUZGGXKI-KOYXEPTDSA-N,"InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,pos_1_1proton1ethylamine,346.1627677919999,QZIOPOIUZGGXKI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,0,6.0
5346,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia dracunculoides,363138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia dracunculoides'],8,3,12.711291790008545
5347,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,3,12.711291790008545
5348,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia granulata,866583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia granulata'],8,3,12.711291790008545
5349,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,3,12.711291790008545
5350,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],8,3,12.711291790008545
5351,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,3,12.711291790008545
5352,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,3,12.711291790008545
5353,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,3,12.711291790008545
5354,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,3,12.711291790008545
5355,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,3,12.711291790008545
5356,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,3,12.711291790008545
5357,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,3,12.711291790008545
5358,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,12.711291790008545
5359,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,3,12.711291790008545
5360,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sapinii,647129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sapinii'],8,3,12.711291790008545
5361,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,3,12.711291790008545
5362,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,3,12.711291790008545
5363,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,12.711291790008545
5364,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia amygdaloides,871278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia amygdaloides'],8,3,12.711291790008545
5365,2982,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia segetalis,825700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia segetalis'],8,3,12.711291790008545
5366,2975,-1,,,,0.81579286,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,0,9.263171434402466
5367,2975,-1,,,,0.81579286,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],6,0,9.263171434402466
5368,2975,-1,,,,0.81579286,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis raddeana,7048977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis raddeana'],6,0,9.263171434402466
5369,2975,-1,,,,0.81579286,ISDB,GBRMPBIZRSWCMZ-UHFFFAOYSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3",COc1cc2c(cc1OC)C1(C(O)c3ccc4c(c3C1O)OCO4)N(C)CC2,C21H23NO6,,385.152537456,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis govaniana,5727971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis govaniana'],6,0,9.263171434402466
5370,2975,-1,,,,0.81579286,ISDB,GBRMPBIZRSWCMZ-PWRODBHTSA-N,"InChI=1S/C21H23NO6/c1-22-7-6-11-8-15(25-2)16(26-3)9-13(11)21(22)19(23)12-4-5-14-18(28-10-27-14)17(12)20(21)24/h4-5,8-9,19-20,23-24H,6-7,10H2,1-3H3/t19-,20+,21+/m0/s1",COc1cc2c(cc1OC)[C@@]1([C@H](O)c3c(ccc4c3OCO4)[C@@H]1O)N(C)CC2,C21H23NO6,,385.1525374559999,GBRMPBIZRSWCMZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ledebouriana,5232171.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ledebouriana'],6,0,9.263171434402466
5371,2974,554,Alkaloids,,,0.6198985,ISDB,,,,,,,MHXWDKFRPOVGGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4795939922332764
5372,2971,-1,,,,0.0,MS1_match,GRKTWUMXBYWXNZ-JCILWVLBSA-N,"InChI=1S/C16H17NO9/c18-5-9-12(20)13(21)14(22)16(26-9)25-8-3-1-2-6-7(15(23)24)4-10(19)17-11(6)8/h1-4,9,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t9-,12-,13+,14-,16-/m1/s1",O=C(O)c1cc(O)nc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc12,C16H17NO9,pos_1_1proton,367.090331124,GRKTWUMXBYWXNZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
5373,2970,-1,,,,0.0,MS1_match,WJYSTTNGGAMFLF-AQPMYLLTSA-N,"InChI=1S/C19H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(20)17-18(2)3/h5-12,18H,4,13-17H2,1-3H3/b6-5+,8-7+,10-9+,12-11+",CC/C=C/C=C/C=C/C=C/CCCCOC(=O)CC(C)C,C19H30O2,pos_1_minus1proton1iron,290.2245802,WJYSTTNGGAMFLF,Fatty acids,Fatty esters,Wax monoesters,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,0,7.0
5374,2968,546,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.62086254,ISDB,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.983450174331665
5375,2963,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5376,2961,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.8000251,ISDB,DCVUNQKEVPAWQP-UHFFFAOYSA-N,"InChI=1S/C24H37NO2/c1-16(2)18-8-11-22(3)17-7-12-23-10-5-6-19(23)24(22,13-9-20(26)27-4)21(18)25(14-17)15-23/h6,16-18,21H,5,7-15H2,1-4H3",COC(=O)CCC12C3=CCCC34CCC3CN(C4)C1C(C(C)C)CCC32C,C24H37NO2,,371.282429424,DCVUNQKEVPAWQP,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum teijsmannii,6043925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum teijsmannii'],1,3,5.700100421905518
5377,2958,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.75051224,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.502048969268799
5378,2958,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.75051224,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.502048969268799
5379,2957,1067,,,,0.4946646,ISDB,,,,,,,OCHZTELGZBWSJD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9786584377288818
5380,2956,-1,,,,0.0,MS1_match,FCBACUGWODQDAW-ITGYZVCLSA-N,"InChI=1S/C26H46O8/c1-15(10-13-27)6-7-18-25(4)11-9-19(24(2,3)17(25)8-12-26(18,5)32)34-23-22(31)21(30)20(29)16(14-28)33-23/h10,16-23,27-32H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,18-,19+,20-,21+,22-,23+,25+,26+/m1/s1",C/C(=C\CO)CC[C@@H]1[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C)(C)[C@@H]2CC[C@]1(C)O,C26H46O8,pos_1_minus1proton2sodium,486.31926843199983,FCBACUGWODQDAW,Terpenoids,Diterpenoids,Labdane diterpenoids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
5381,2955,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],6,0,6.0
5382,2955,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],6,0,6.0
5383,2955,-1,,,,0.0,MS1_match,BLQCWBCWZFDGBW-WQYRLUMKSA-N,"InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+/t12-,13+,14+,15+,16-,17+,18+/m0/s1",CC(=O)/C=C/C1=C(C)[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,BLQCWBCWZFDGBW,Terpenoids,Apocarotenoids,Megastigmanes,Cardamine komarovii,3932710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Cardamine'],['Cardamine komarovii'],6,0,6.0
5384,2955,-1,,,,0.0,MS1_match,BLQCWBCWZFDGBW-WQYRLUMKSA-N,"InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)14(22)12(7-19(11,3)4)26-18-17(25)16(24)15(23)13(8-20)27-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+/t12-,13+,14+,15+,16-,17+,18+/m0/s1",CC(=O)/C=C/C1=C(C)[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,BLQCWBCWZFDGBW,Terpenoids,Apocarotenoids,Megastigmanes,Cardamine komarovii,3932710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Cardamine'],['Cardamine komarovii'],6,0,6.0
5385,2955,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],6,0,6.0
5386,2955,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],6,0,6.0
5387,2955,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-PUVRWCMWSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13+,14+,15-,16+,17+,19+/m0/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cardamine komarovii,3932710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Cardamine'],['Cardamine komarovii'],6,0,6.0
5388,2955,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Isatis tinctoria,631500.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis tinctoria'],6,0,6.0
5389,2955,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-MHXFFUGFSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13-,14-,15+,16-,17-,19-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],6,0,6.0
5390,2955,-1,,,,0.0,MS1_match,SWYRVCGNMNAFEK-PUVRWCMWSA-N,"InChI=1S/C19H30O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-7,11,13-17,20,22-25H,8-9H2,1-4H3/b6-5+/t11-,13+,14+,15-,16+,17+,19+/m0/s1",CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1proton1ethylamine,386.19406792,SWYRVCGNMNAFEK,Terpenoids,Apocarotenoids,Megastigmanes,Cardamine komarovii,3932710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Cardamine'],['Cardamine komarovii'],6,0,6.0
5391,2955,-1,,,,0.0,MS1_match,RZPOXAOUEYNXNO-FBOCVPDYSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18-,19+/m0/s1",CC(=O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406792,RZPOXAOUEYNXNO,Terpenoids,Apocarotenoids,Megastigmanes,Cardamine komarovii,3932710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Cardamine'],['Cardamine komarovii'],6,0,6.0
5392,2955,-1,,,,0.0,MS1_match,RZPOXAOUEYNXNO-FBOCVPDYSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18-,19+/m0/s1",CC(=O)/C=C/[C@]12O[C@@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406792,RZPOXAOUEYNXNO,Terpenoids,Apocarotenoids,Megastigmanes,Cardamine komarovii,3932710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Cardamine'],['Cardamine komarovii'],6,0,6.0
5393,2953,-1,,,,0.0,MS1_match,PFFXZKDJDRQSNQ-UHFFFAOYSA-N,"InChI=1S/C14H24O2/c1-5-13(15)8-6-7-12(4)10-14(16)9-11(2)3/h5,7,9,13-16H,1,6,8,10H2,2-4H3",C=CC(O)CCC=C(C)CC(O)C=C(C)C,C14H24O2,pos_1_minus1proton2sodium,224.177630008,PFFXZKDJDRQSNQ,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
5394,2953,-1,,,,0.0,MS1_match,ZFLAQNRXNIGIQD-DGTMBMJNSA-N,"InChI=1S/C14H24O2/c1-9(2)11-4-5-14(8-11)10(3)6-12(15)7-13(14)16/h10-13,15-16H,1,4-8H2,2-3H3/t10-,11-,12+,13+,14+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2O,C14H24O2,pos_1_minus1proton2sodium,224.177630008,ZFLAQNRXNIGIQD,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
5395,2952,1179,Shikimates and Phenylpropanoids,Small peptides,Aminoacids,0.3417525,ISDB,,,,,,,KAFIOMPFBSDFPP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3670099973678589
5396,2951,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.83775175,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,3,5.851006984710693
5397,2950,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.71937495,ISDB,GJHTVUOIDXUACV-UDHZNOBRSA-N,"InChI=1S/C20H18O10/c21-8-2-1-7(3-9(8)22)14-5-12(25)15-10(23)4-11(24)16(19(15)30-14)20-18(28)17(27)13(26)6-29-20/h1-5,13,17-18,20-24,26-28H,6H2/t13-,17-,18?,20-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3OC[C@H](O)[C@H](O)C3O)c(O)cc(O)c12,C20H18O10,,418.089996776,GJHTVUOIDXUACV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Mucuna sempervirens,404085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Mucuna'],['Mucuna sempervirens'],4,3,8.37749981880188
5398,2946,610,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6496003,ISDB,CAHZYAQCDBBLER-UHFFFAOYSA-N,"InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)",C=CCCCCCCCCCCCCC(=O)O,C15H28O2,,240.208930136,CAHZYAQCDBBLER,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],0,3,4.098401308059692
5399,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-WHGQRRHOSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m0/s1",CC#CC#C/C=C1\C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Tanacetum vulgare,602516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum vulgare'],1,2,4.967355728149414
5400,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chrysanthemum naktongense,7187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum zawadskii'],1,2,4.967355728149414
5401,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Glebionis coronarium,472707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis coronaria'],1,2,4.967355728149414
5402,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],1,2,4.967355728149414
5403,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],1,2,4.967355728149414
5404,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Artemisia pedemontana,607377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia pedemontana'],1,2,4.967355728149414
5405,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Artemisia assoana,704050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia assoana'],1,2,4.967355728149414
5406,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-OTAKNEKHSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m0/s1",CC#CC#C/C=C1/C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],1,2,4.967355728149414
5407,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-OTAKNEKHSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m0/s1",CC#CC#C/C=C1/C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Dendranthema indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],1,2,4.967355728149414
5408,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Glebionis segetum,775935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis segetum'],1,2,4.967355728149414
5409,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Glebionis coronaria,472707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis coronaria'],1,2,4.967355728149414
5410,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chrysanthemum yoshinaganthum,1061247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum yoshinaganthum'],1,2,4.967355728149414
5411,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-UHFFFAOYSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3",CC#CC#CC=C1C=CC2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Artemisia granatensis,1070768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia granatensis'],1,2,4.967355728149414
5412,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-UHFFFAOYSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3",CC#CC#CC=C1C=CC2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Dendranthema zawadskii,228065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum zawadskii'],1,2,4.967355728149414
5413,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-OTAKNEKHSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m0/s1",CC#CC#C/C=C1/C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Tanacetum parthenium,488828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum parthenium'],1,2,4.967355728149414
5414,2942,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.74183893,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Plagius flosculosus,614002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Plagius'],['Plagius flosculosus'],1,2,4.967355728149414
5415,2940,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8482788,ISDB,QBLQLKNOKUHRCH-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,QBLQLKNOKUHRCH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,3,11.893115282058716
5416,2940,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8482788,ISDB,QBLQLKNOKUHRCH-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,QBLQLKNOKUHRCH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],7,3,11.893115282058716
5417,2939,313,Carbohydrates,Saccharides,Disaccharides,0.63077885,ISDB,LDCRTTXIJACKKU-ONEGZZNKSA-N,"InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+",COC(=O)/C=C/C(=O)OC,C6H8O4,,144.042258736,LDCRTTXIJACKKU,Fatty acids,Fatty esters,Wax monoesters,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,6.523115396499634
5418,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton1isopropanol,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0
5419,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UYWQUFXKFGHYNT-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=COCc1ccccc1,C8H8O2,pos_1_1proton1isopropanol,136.052429496,UYWQUFXKFGHYNT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0
5420,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,UYWQUFXKFGHYNT-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2",O=COCc1ccccc1,C8H8O2,pos_1_1proton1isopropanol,136.052429496,UYWQUFXKFGHYNT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum stuckertii,509378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum stuckertii'],8,0,8.0
5421,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,JECYUBVRTQDVAT-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3",CC(=O)c1ccccc1O,C8H8O2,pos_1_1proton1isopropanol,136.052429496,JECYUBVRTQDVAT,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
5422,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,MDHYEMXUFSJLGV-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",CC(=O)OCCc1ccccc1,C10H12O2,pos_1_1proton1methanol,164.083729624,MDHYEMXUFSJLGV,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
5423,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1methanol,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum betaceum,590315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum betaceum'],8,0,8.0
5424,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1methanol,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
5425,2938,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,QPJVMBTYPHYUOC-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3",COC(=O)c1ccccc1,C8H8O2,pos_1_1proton1isopropanol,136.052429496,QPJVMBTYPHYUOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum incisum,7631044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incisum'],8,0,8.0
5426,2937,-1,,,,0.33170226,ISDB,MIWFFKJIIUTZBI-LIBZSAGESA-N,"InChI=1S/C27H42O11/c1-8-18(4)26(32)38-25-23(31)27(37-22(15-35-20(6)29)24(25)36-21(7)30)33-13-12-16(2)10-9-11-17(3)14-34-19(5)28/h11,18,22-25,27,31H,2,8-10,12-15H2,1,3-7H3/b17-11-/t18-,22-,23-,24-,25-,27-/m1/s1",C=C(CC/C=C(/C)COC(C)=O)CCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@H]1O,C27H42O11,,542.272712164,MIWFFKJIIUTZBI,Terpenoids,,,Tetraneuris linearifolia,3900035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Tetraneuris'],['Tetraneuris linearifolia'],4,0,5.326809048652649
5427,2936,471,Fatty acids,Sphingolipids,Sphingoid bases,0.4573302,ISDB,CRJGESKKUOMBCT-VQTJNVASSA-N,"InChI=1S/C20H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h19-20,22,24H,3-17H2,1-2H3,(H,21,23)/t19-,20+/m0/s1",CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(C)=O,C20H41NO3,,343.308644172,CRJGESKKUOMBCT,Fatty acids,Sphingolipids,Ceramides,Sarcophyton ehrenbergi,606345.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sarcophyton'],['Sarcophyton ehrenbergi'],1,2,3.829320788383484
5428,2934,-1,,,,0.0,MS1_match,KOAOTGWPRULPKG-UHFFFAOYSA-N,"InChI=1S/C24H33N5O6/c1-13(2)20-24(35)27-17(11-15-6-8-16(30)9-7-15)22(33)26-14(3)21(32)25-12-19(31)29-10-4-5-18(29)23(34)28-20/h6-9,13-14,17-18,20,30H,4-5,10-12H2,1-3H3,(H,25,32)(H,26,33)(H,27,35)(H,28,34)",CC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)CNC1=O,C24H33N5O6,pos_2_2proton1acetonitrile,487.243083776,KOAOTGWPRULPKG,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Stellaria palustris,198759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria palustris'],7,0,7.0
5429,2934,-1,,,,0.0,MS1_match,KOAOTGWPRULPKG-RNVRALISSA-N,"InChI=1S/C24H33N5O6/c1-13(2)20-24(35)27-17(11-15-6-8-16(30)9-7-15)22(33)26-14(3)21(32)25-12-19(31)29-10-4-5-18(29)23(34)28-20/h6-9,13-14,17-18,20,30H,4-5,10-12H2,1-3H3,(H,25,32)(H,26,33)(H,27,35)(H,28,34)/t14-,17-,18-,20-/m0/s1",CC(C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,C24H33N5O6,pos_2_2proton1acetonitrile,487.243083776,KOAOTGWPRULPKG,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Pseudostellaria heterophylla,698777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Pseudostellaria'],['Pseudostellaria heterophylla'],7,0,7.0
5430,2931,-1,,,,0.70966095,ISDB,DIIDNULUYBIJPD-IFUZRCJVSA-N,"InChI=1S/C19H22O5/c1-8(2)9-4-10(20)6-19-11(5-9)13-14-12(23-17(13)22)7-18(3,24-19)15(14)16(19)21/h9,11-15H,1,4-7H2,2-3H3/t9-,11-,12-,13+,14+,15+,18+,19-/m0/s1",C=C(C)[C@H]1CC(=O)C[C@@]23O[C@]4(C)C[C@@H]5OC(=O)[C@@H]([C@@H]5[C@@H]4C2=O)[C@@H]3C1,C19H22O5,,330.146723804,DIIDNULUYBIJPD,Terpenoids,Diterpenoids,Cembrane diterpenoids,Sinularia lochmodes,1040266.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia lochmodes'],2,0,4.838643789291382
5431,2931,-1,,,,0.70966095,ISDB,DIIDNULUYBIJPD-GAJCSFFBSA-N,"InChI=1S/C19H22O5/c1-8(2)9-4-10(20)6-19-11(5-9)13-14-12(23-17(13)22)7-18(3,24-19)15(14)16(19)21/h9,11-15H,1,4-7H2,2-3H3/t9-,11-,12-,13+,14+,15+,18-,19-/m1/s1",C=C(C)[C@@H]1CC(=O)C[C@]23O[C@]4(C)C[C@H]5OC(=O)[C@H]([C@H]5[C@H]4C2=O)[C@H]3C1,C19H22O5,,330.146723804,DIIDNULUYBIJPD,Terpenoids,Diterpenoids,Cembrane diterpenoids,Sinularia gyrosa,3679261.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia gyrosa'],2,0,4.838643789291382
5432,2928,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,FUGYGGDSWSUORM-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2",C=Cc1ccc(O)cc1,C8H8O,pos_1_1proton1ethylamine,120.057514876,FUGYGGDSWSUORM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
5433,2924,-1,,,,0.28515553,ISDB,FQPIJXGAKOKCQL-FUEXJSSKSA-N,"InChI=1S/C15H16O8/c1-21-11-7-9(3-5-10(11)16)4-6-14(19)23-12(8-13(17)18)15(20)22-2/h3-7,12,16H,8H2,1-2H3,(H,17,18)/b6-4+/t12-/m0/s1",COC(=O)[C@H](CC(=O)O)OC(=O)/C=C/c1ccc(O)c(OC)c1,C15H16O8,,324.084517472,FQPIJXGAKOKCQL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica rapa,833632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica rapa'],4,0,5.140622138977051
5434,2923,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.31155053,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.746202111244202
5435,2921,980,Terpenoids,Diterpenoids,Secolabdane diterpenoids,0.658748,ISDB,AUPXVTCQYHEOJB-YOWDKSQXSA-N,"InChI=1S/C19H30O2/c1-14(8-6-9-16(3)18(20)21)11-12-17-15(2)10-7-13-19(17,4)5/h6,8-9,16H,7,10-13H2,1-5H3,(H,20,21)/b9-6+,14-8+/t16-/m1/s1",CC1=C(CC/C(C)=C/C=C/[C@@H](C)C(=O)O)C(C)(C)CCC1,C19H30O2,,290.2245802,AUPXVTCQYHEOJB,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Latrunculia brevis,2837898.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Latrunculiidae'],['Unknown'],['Latrunculia'],['Latrunculia brevis'],2,3,6.134991884231567
5436,2919,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UWBKEKWTUMGDCN-UHFFFAOYSA-N,"InChI=1S/C22H20O13/c1-32-19-13(34-22-18(29)16(27)17(28)20(35-22)21(30)31)6-12-14(15(19)26)10(25)5-11(33-12)7-2-3-8(23)9(24)4-7/h2-6,16-18,20,22-24,26-29H,1H3,(H,30,31)",COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,C22H20O13,pos_1_1proton,492.0903907,UWBKEKWTUMGDCN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,2,7.0
5437,2919,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UWBKEKWTUMGDCN-UHFFFAOYSA-N,"InChI=1S/C22H20O13/c1-32-19-13(34-22-18(29)16(27)17(28)20(35-22)21(30)31)6-12-14(15(19)26)10(25)5-11(33-12)7-2-3-8(23)9(24)4-7/h2-6,16-18,20,22-24,26-29H,1H3,(H,30,31)",COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,C22H20O13,pos_1_1proton,492.0903907,UWBKEKWTUMGDCN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,2,7.0
5438,2919,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SCUOFHFSRPWCKS-WHZJULEDSA-N,"InChI=1S/C22H20O13/c1-32-11-4-7(2-3-8(11)23)10-5-9(24)14-12(33-10)6-13(15(25)16(14)26)34-22(31)20-18(28)17(27)19(29)21(30)35-20/h2-6,17-21,23,25-30H,1H3/t17-,18-,19+,20-,21-/m0/s1",COc1cc(-c2cc(=O)c3c(O)c(O)c(OC(=O)[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)cc3o2)ccc1O,C22H20O13,pos_1_1proton,492.0903907,SCUOFHFSRPWCKS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,2,7.0
5439,2919,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XMUSFCCVYDPKCR-NTKSAMNMSA-N,"InChI=1S/C22H20O13/c1-32-13-4-7(2-3-8(13)23)12-6-10(25)14-9(24)5-11(26)18(19(14)33-12)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3o2)ccc1O,C22H20O13,pos_1_1proton,492.0903907,XMUSFCCVYDPKCR,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,2,7.0
5440,2919,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,BWMDGCXULMGOMQ-QIBQCXCESA-N,"InChI=1S/C22H20O13/c1-32-13-4-7(2-3-8(13)23)12-6-10(25)14-9(24)5-11(26)18(19(14)33-12)34-22(31)20-16(28)15(27)17(29)21(30)35-20/h2-6,15-17,20-21,23-24,26-30H,1H3/t15-,16-,17+,20-,21-/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC(=O)[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)c3o2)ccc1O,C22H20O13,pos_1_1proton,492.0903907,BWMDGCXULMGOMQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,2,7.0
5441,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,3,7.5
5442,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
5443,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver commutatum,605768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver commutatum'],6,3,7.5
5444,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
5445,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria rostellata,5503542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria rostellata'],6,3,7.5
5446,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria schleicheri,5728019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria schleicheri'],6,3,7.5
5447,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,3,7.5
5448,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,3,7.5
5449,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,3,7.5
5450,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,3,7.5
5451,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,3,7.5
5452,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
5453,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
5454,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,7.5
5455,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,3,7.5
5456,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
5457,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria petteri,5503540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria petteri'],6,3,7.5
5458,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,3,7.5
5459,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
5460,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis thyrsiflora,6130614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis thyrsiflora'],6,3,7.5
5461,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
5462,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KNGKJOJXPBGGOV-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-7-6-15-9-19-18(23-11-24-19)8-14(15)3-2-13-4-5-17-20(16(13)10-21)25-12-22-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3",CN1CCc2cc3c(cc2CCc2ccc4c(c2C1)OCO4)OCO3,C20H21NO4,pos_1_1proton,339.147058152,KNGKJOJXPBGGOV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,3,7.5
5463,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,JAMSSQRMJLGLRL-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-20-19(24-10-25-20)5-11(12)4-16(21)14-8-18(23-3)17(22-2)7-13(14)15/h5-8,15-16H,4,9-10H2,1-3H3",COc1cc2c(cc1OC)C1Cc3cc4c(cc3C2CN1C)OCO4,C20H21NO4,pos_1_1proton,339.147058152,JAMSSQRMJLGLRL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
5464,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,3,7.5
5465,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,3,7.5
5466,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,3,7.5
5467,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-JKSUJKDBSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m0/s1",COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.147058152,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
5468,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,3,7.5
5469,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,3,7.5
5470,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,3,7.5
5471,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-JKSUJKDBSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m0/s1",COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.147058152,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
5472,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZZLZJSUGMWPIBU-OWRIGNJKSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-18(23-2)16(22)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11?,19-/m0/s1",COc1cc2c(cc1O)[C@@H]1C(C)c3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,ZZLZJSUGMWPIBU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
5473,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZZLZJSUGMWPIBU-JEOXALJRSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-18(23-2)16(22)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m0/s1",COc1cc2c(cc1O)[C@H]1[C@@H](C)c3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,ZZLZJSUGMWPIBU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
5474,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,IHNKNZSIZUBHCB-WYRIXSBYSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-16(22)18(23-2)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m1/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)[C@@H](C)[C@@H]21,C20H21NO4,pos_1_1proton,339.147058152,IHNKNZSIZUBHCB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,3,7.5
5475,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,IHNKNZSIZUBHCB-WYRIXSBYSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-16(22)18(23-2)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m1/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)[C@@H](C)[C@@H]21,C20H21NO4,pos_1_1proton,339.147058152,IHNKNZSIZUBHCB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5476,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
5477,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver commutatum,605768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver commutatum'],6,3,7.5
5478,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,3,7.5
5479,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,3,7.5
5480,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaveraceae,438092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Unknown'],['Unknown'],6,3,7.5
5481,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
5482,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
5483,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1cc2c(cc1OC)[C@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,3,7.5
5484,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KNGKJOJXPBGGOV-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-7-6-15-9-19-18(23-11-24-19)8-14(15)3-2-13-4-5-17-20(16(13)10-21)25-12-22-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3",CN1CCc2cc3c(cc2CCc2ccc4c(c2C1)OCO4)OCO3,C20H21NO4,pos_1_1proton,339.147058152,KNGKJOJXPBGGOV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis orthopoda,6130503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis orthopoda'],6,3,7.5
5485,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
5486,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
5487,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
5488,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
5489,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5490,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
5491,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ambigua,326188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ambigua'],6,3,7.5
5492,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
5493,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
5494,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
5495,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5496,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
5497,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
5498,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
5499,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
5500,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
5501,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
5502,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
5503,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
5504,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
5505,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
5506,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5507,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
5508,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
5509,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
5510,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
5511,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5512,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
5513,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ambigua,326188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ambigua'],6,3,7.5
5514,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
5515,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
5516,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
5517,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
5518,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
5519,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
5520,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
5521,2918,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YTZIQRTXKBDFKM-HOTGVXAUSA-N,"InChI=1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C)OCO4,C20H21NO4,pos_1_1proton,339.147058152,YTZIQRTXKBDFKM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
5522,2917,-1,,,,0.0,MS1_match,ORJVQPIHKOARKV-HNNXBMFYSA-N,"InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m0/s1",COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C)CC2,C19H21NO2,pos_1_1proton,295.157228912,ORJVQPIHKOARKV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,6.0
5523,2917,-1,,,,0.0,MS1_match,ORJVQPIHKOARKV-HNNXBMFYSA-N,"InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m0/s1",COc1cc2c3c(c1OC)-c1ccccc1C[C@@H]3N(C)CC2,C19H21NO2,pos_1_1proton,295.157228912,ORJVQPIHKOARKV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,6.0
5524,2917,-1,,,,0.0,MS1_match,HCXNUWJYBNHDAE-UHFFFAOYSA-N,"InChI=1S/C19H21NO2/c1-20(2)11-10-14-12-17(21)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,21H,10-11H2,1-3H3",COc1c(O)cc(CCN(C)C)c2ccc3ccccc3c12,C19H21NO2,pos_1_1proton,295.157228912,HCXNUWJYBNHDAE,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,0,6.0
5525,2917,-1,,,,0.0,MS1_match,HCXNUWJYBNHDAE-UHFFFAOYSA-N,"InChI=1S/C19H21NO2/c1-20(2)11-10-14-12-17(21)19(22-3)18-15-7-5-4-6-13(15)8-9-16(14)18/h4-9,12,21H,10-11H2,1-3H3",COc1c(O)cc(CCN(C)C)c2ccc3ccccc3c12,C19H21NO2,pos_1_1proton,295.157228912,HCXNUWJYBNHDAE,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],6,0,6.0
5526,2916,-1,,,,0.50377184,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,9.015087366104126
5527,2916,-1,,,,0.50377184,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,9.015087366104126
5528,2916,-1,,,,0.50377184,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,9.015087366104126
5529,2916,-1,,,,0.50377184,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,9.015087366104126
5530,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,3,7.5
5531,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
5532,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver commutatum,605768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver commutatum'],6,3,7.5
5533,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
5534,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria rostellata,5503542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria rostellata'],6,3,7.5
5535,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria schleicheri,5728019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria schleicheri'],6,3,7.5
5536,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,3,7.5
5537,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,3,7.5
5538,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,3,7.5
5539,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,3,7.5
5540,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,3,7.5
5541,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
5542,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
5543,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,7.5
5544,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,3,7.5
5545,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
5546,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria petteri,5503540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria petteri'],6,3,7.5
5547,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,3,7.5
5548,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
5549,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis thyrsiflora,6130614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis thyrsiflora'],6,3,7.5
5550,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1cc2c(cc1OC)C1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
5551,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KNGKJOJXPBGGOV-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-7-6-15-9-19-18(23-11-24-19)8-14(15)3-2-13-4-5-17-20(16(13)10-21)25-12-22-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3",CN1CCc2cc3c(cc2CCc2ccc4c(c2C1)OCO4)OCO3,C20H21NO4,pos_1_1proton,339.147058152,KNGKJOJXPBGGOV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,3,7.5
5552,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,JAMSSQRMJLGLRL-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-20-19(24-10-25-20)5-11(12)4-16(21)14-8-18(23-3)17(22-2)7-13(14)15/h5-8,15-16H,4,9-10H2,1-3H3",COc1cc2c(cc1OC)C1Cc3cc4c(cc3C2CN1C)OCO4,C20H21NO4,pos_1_1proton,339.147058152,JAMSSQRMJLGLRL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
5553,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,3,7.5
5554,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,3,7.5
5555,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,3,7.5
5556,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-JKSUJKDBSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m0/s1",COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.147058152,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
5557,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,3,7.5
5558,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,3,7.5
5559,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-CVEARBPZSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m1/s1",COc1cc2c(cc1OC)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.14705815199994,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,3,7.5
5560,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CHGJYZLWIIUFAG-JKSUJKDBSA-N,"InChI=1S/C20H21NO4/c1-21-9-15-12-6-18(23-3)17(22-2)5-11(12)4-16(21)14-8-20-19(7-13(14)15)24-10-25-20/h5-8,15-16H,4,9-10H2,1-3H3/t15-,16+/m0/s1",COc1cc2c(cc1OC)[C@@H]1CN(C)[C@H](C2)c2cc3c(cc21)OCO3,C20H21NO4,pos_1_1proton,339.147058152,CHGJYZLWIIUFAG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
5561,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZZLZJSUGMWPIBU-OWRIGNJKSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-18(23-2)16(22)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11?,19-/m0/s1",COc1cc2c(cc1O)[C@@H]1C(C)c3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,ZZLZJSUGMWPIBU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
5562,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZZLZJSUGMWPIBU-JEOXALJRSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-18(23-2)16(22)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m0/s1",COc1cc2c(cc1O)[C@H]1[C@@H](C)c3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,ZZLZJSUGMWPIBU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
5563,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,IHNKNZSIZUBHCB-WYRIXSBYSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-16(22)18(23-2)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m1/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)[C@@H](C)[C@@H]21,C20H21NO4,pos_1_1proton,339.147058152,IHNKNZSIZUBHCB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,3,7.5
5564,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,IHNKNZSIZUBHCB-WYRIXSBYSA-N,"InChI=1S/C20H21NO4/c1-11-13-3-4-17-20(25-10-24-17)15(13)9-21-6-5-12-7-16(22)18(23-2)8-14(12)19(11)21/h3-4,7-8,11,19,22H,5-6,9-10H2,1-2H3/t11-,19+/m1/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)[C@@H](C)[C@@H]21,C20H21NO4,pos_1_1proton,339.147058152,IHNKNZSIZUBHCB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5565,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
5566,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver commutatum,605768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver commutatum'],6,3,7.5
5567,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,3,7.5
5568,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,3,7.5
5569,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaveraceae,438092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Unknown'],['Unknown'],6,3,7.5
5570,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
5571,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,XQYZDYMELSJDRZ-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3",COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,C20H21NO4,pos_1_1proton,339.147058152,XQYZDYMELSJDRZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
5572,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UWEHVAXMSWXKRW-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-18-8-13-5-6-21-10-15-12(3-4-17-20(15)25-11-24-17)7-16(21)14(13)9-19(18)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1cc2c(cc1OC)[C@H]1Cc3ccc4c(c3CN1CC2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,UWEHVAXMSWXKRW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,3,7.5
5573,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KNGKJOJXPBGGOV-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-21-7-6-15-9-19-18(23-11-24-19)8-14(15)3-2-13-4-5-17-20(16(13)10-21)25-12-22-17/h4-5,8-9H,2-3,6-7,10-12H2,1H3",CN1CCc2cc3c(cc2CCc2ccc4c(c2C1)OCO4)OCO3,C20H21NO4,pos_1_1proton,339.147058152,KNGKJOJXPBGGOV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis orthopoda,6130503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis orthopoda'],6,3,7.5
5574,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
5575,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
5576,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
5577,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
5578,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5579,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
5580,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ambigua,326188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ambigua'],6,3,7.5
5581,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
5582,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
5583,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
5584,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5585,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
5586,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
5587,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
5588,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
5589,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
5590,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
5591,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
5592,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
5593,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
5594,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
5595,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5596,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
5597,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
5598,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
5599,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
5600,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
5601,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
5602,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ambigua,326188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ambigua'],6,3,7.5
5603,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
5604,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
5605,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-MRXNPFEDSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m1/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
5606,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-INIZCTEOSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C20H21NO4,pos_1_1proton,339.147058152,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
5607,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
5608,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
5609,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VZTUIEROBZXUFA-UHFFFAOYSA-N,"InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3",COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1C2)OCO4,C20H21NO4,pos_1_1proton,339.14705815199994,VZTUIEROBZXUFA,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
5610,2914,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YTZIQRTXKBDFKM-HOTGVXAUSA-N,"InChI=1S/C20H21NO4/c1-21-15-5-12-7-19-20(25-10-24-19)9-14(12)16(21)4-11-6-17(22-2)18(23-3)8-13(11)15/h6-9,15-16H,4-5,10H2,1-3H3/t15-,16-/m0/s1",COc1cc2c(cc1OC)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C)OCO4,C20H21NO4,pos_1_1proton,339.147058152,YTZIQRTXKBDFKM,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
5611,2910,1248,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.24469194,ISDB,NKRBAUXTIWONOV-LBPRGKRZSA-N,"InChI=1S/C14H16O5/c1-5-12(18-9(2)15)11-6-7-13(19-10(3)16)14(8-11)17-4/h5-8,12H,1H2,2-4H3/t12-/m0/s1",C=C[C@H](OC(C)=O)c1ccc(OC(C)=O)c(OC)c1,C14H16O5,,264.09977361200004,NKRBAUXTIWONOV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,4.4787677526474
5612,2909,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GOHHRVCULPSXEU-RWORTQBESA-N,"InChI=1S/C22H26O11/c23-8-12-14(25)15(26)16(27)21(30-12)32-20-13-11(6-7-29-20)17(18-22(13,9-24)33-18)31-19(28)10-4-2-1-3-5-10/h1-7,11-18,20-21,23-27H,8-9H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccccc1,C22H26O11,pos_1_1proton1ammonium,466.1475116519998,GOHHRVCULPSXEU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
5613,2909,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GOHHRVCULPSXEU-RWORTQBESA-N,"InChI=1S/C22H26O11/c23-8-12-14(25)15(26)16(27)21(30-12)32-20-13-11(6-7-29-20)17(18-22(13,9-24)33-18)31-19(28)10-4-2-1-3-5-10/h1-7,11-18,20-21,23-27H,8-9H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccccc1,C22H26O11,pos_1_1proton1ammonium,466.1475116519998,GOHHRVCULPSXEU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
5614,2907,1067,,,,0.39179805,ISDB,,,,,,,QDBLJDVWLXPWOQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5671921968460083
5615,2906,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.40319976,ISDB,ZKWQRKACMGTYMH-JOYOIKCWSA-N,"InChI=1S/C14H21NO/c1-9-5-8-12(14(3,4)16)13-11(9)7-6-10(2)15-13/h6-7,9,12,16H,5,8H2,1-4H3/t9-,12+/m0/s1",Cc1ccc2c(n1)[C@H](C(C)(C)O)CC[C@@H]2C,C14H21NO,,219.162314292,ZKWQRKACMGTYMH,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Fabiana imbricata,851417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Fabiana'],['Fabiana imbricata'],4,3,7.112799048423767
5616,2905,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.7524653,ISDB,KYSQDMNDMYECNZ-GGKWECFFSA-N,"InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+/t8-,13+/m0/s1",O=C(O)C[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C15H14O10,,354.058696648,KYSQDMNDMYECNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dactylis glomerata,83469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Dactylis'],['Dactylis glomerata'],5,3,9.50986123085022
5617,2904,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.59652346,ISDB,UXMMIMGEKFYPFK-UHFFFAOYSA-N,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCC#CCCCCC(=O)O,C18H26O2,,274.193280072,UXMMIMGEKFYPFK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Dicranum scoparium,195712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Dicranales'],['Dicranaceae'],['Unknown'],['Dicranum'],['Dicranum scoparium'],1,3,4.886093854904175
5618,2902,-1,,,,0.20050842,ISDB,KBXBJCBDXNLYHI-WNWGVQQNSA-N,"InChI=1S/C28H48/c1-19(2)9-7-10-20(3)24-14-15-25-22-12-13-23-21(4)11-8-17-27(23,5)26(22)16-18-28(24,25)6/h8,11,19-26H,7,9-10,12-18H2,1-6H3/t20-,21-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)C=CC[C@]4(C)[C@H]3CC[C@]12C,C28H48,,384.375601536,KBXBJCBDXNLYHI,Terpenoids,Steroids,Cholestane steroids,Parmotrema perlatum,682349.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Lecanoromycetes'],['Lecanorales'],['Parmeliaceae'],['Unknown'],['Parmotrema'],['Parmotrema perlatum'],1,0,1.8020336627960205
5619,2900,624,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.7307226,ISDB,RYACWZGPRAUVCT-GXSJLCMTSA-N,"InChI=1S/C15H16N2O6/c1-23-13(19)7-11(15(21)22)16-12(18)6-9-8-4-2-3-5-10(8)17-14(9)20/h2-5,9,11H,6-7H2,1H3,(H,16,18)(H,17,20)(H,21,22)/t9-,11+/m0/s1",COC(=O)C[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)C(=O)O,C15H16N2O6,,320.100836232,RYACWZGPRAUVCT,Amino acids and Peptides,,,Hibiscus palustris,779798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus moscheutos'],4,0,6.9228904247283936
5620,2897,981,Polyketides,Linear polyketides,Open-chain polyketides,0.60978967,ISDB,NAMOYKKVUOAEJB-LZQDITFCSA-N,"InChI=1S/C21H35NO3/c1-8-14(4)11-16(6)19-21(7,25)20(24)17(18(23)10-3)13-22(19)12-15(5)9-2/h11,13-15,19,25H,8-10,12H2,1-7H3/b16-11+/t14-,15+,19-,21+/m1/s1",CCC(=O)C1=CN(C[C@@H](C)CC)[C@H](/C(C)=C/[C@H](C)CC)[C@](C)(O)C1=O,C21H35NO3,,349.26169398,NAMOYKKVUOAEJB,Polyketides,Linear polyketides,Open-chain polyketides,Fusarium neocosmosporiellum,149805.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Fusarium'],['Fusarium neocosmosporiellum'],1,3,4.93915867805481
5621,2896,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5622,2896,-1,,,,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1ethylamine,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5623,2895,271,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.82182187,ISDB,SDNXJXOXZPVDBS-AREMUKBSSA-N,"InChI=1S/C26H54NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h18-19,26,28H,5-17,20-25H2,1-4H3/t26-/m1/s1",CCCCCCCCCCCCCCC=CCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H54NO6P,,507.368875078,SDNXJXOXZPVDBS,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,4.787287473678589
5624,2894,-1,,,,0.0,MS1_match,PVLQCQIILHIDGG-BFDPLWEFSA-N,"InChI=1S/C26H32O13/c1-34-14-7-10(3-5-12(14)28)22-17-18(23(37-24(17)33)11-4-6-13(29)15(8-11)35-2)25(38-22)39-26-21(32)20(31)19(30)16(9-27)36-26/h3-8,16-33H,9H2,1-2H3/t16-,17+,18+,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]3[C@@H]2[C@H](O)O[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C26H32O13,pos_1_1proton1ammonium,552.1842910839997,PVLQCQIILHIDGG,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Lactuca indica,678386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca indica'],6,0,6.0
5625,2894,-1,,,,0.0,MS1_match,PVLQCQIILHIDGG-BFDPLWEFSA-N,"InChI=1S/C26H32O13/c1-34-14-7-10(3-5-12(14)28)22-17-18(23(37-24(17)33)11-4-6-13(29)15(8-11)35-2)25(38-22)39-26-21(32)20(31)19(30)16(9-27)36-26/h3-8,16-33H,9H2,1-2H3/t16-,17+,18+,19-,20+,21-,22-,23-,24-,25+,26+/m1/s1",COc1cc([C@H]2O[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]3[C@@H]2[C@H](O)O[C@@H]3c2ccc(O)c(OC)c2)ccc1O,C26H32O13,pos_1_1proton1ammonium,552.1842910839997,PVLQCQIILHIDGG,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Lactuca sibirica,678396.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca sibirica'],6,0,6.0
5626,2894,-1,,,,0.0,MS1_match,ABDOULSAGVNIDA-CZFWVKPWSA-N,"InChI=1S/C26H32O13/c1-34-15-6-10(3-4-14(15)37-26-22(32)21(31)20(30)17(8-27)38-26)23-12-9-36-24(18(12)25(33)39-23)11-5-13(28)19(29)16(7-11)35-2/h3-7,12,17-18,20-33H,8-9H2,1-2H3/t12-,17+,18-,20+,21-,22+,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2O[C@@H](O)[C@H]3[C@@H]2CO[C@@H]3c2cc(O)c(O)c(OC)c2)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C26H32O13,pos_1_1proton1ammonium,552.184291084,ABDOULSAGVNIDA,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Ligularia virgaurea,619953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia virgaurea'],6,0,6.0
5627,2890,-1,,,,0.0,MS1_match,BRAWHUQNAZTSAF-OTXRANDRSA-N,"InChI=1S/C66H102O33/c1-24-47(94-54-43(80)36(73)29(71)22-87-54)42(79)46(83)55(88-24)98-52-51(97-56-44(81)38(75)31(21-68)92-56)48(90-26(3)70)25(2)89-59(52)99-60(86)66-17-16-61(4,5)18-28(66)27-10-11-33-62(6)14-13-35(63(7,23-69)32(62)12-15-64(33,8)65(27,9)19-34(66)72)93-58-50(41(78)40(77)49(95-58)53(84)85)96-57-45(82)39(76)37(74)30(20-67)91-57/h10,23-25,28-52,54-59,67-68,71-83H,11-22H2,1-9H3,(H,84,85)/t24-,25+,28-,29+,30+,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42-,43+,44-,45+,46+,47-,48-,49-,50+,51-,52+,54-,55-,56-,57-,58+,59-,62-,63-,64+,65+,66+/m0/s1",CC(=O)O[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)[C@@H]5CC[C@@]4(C)[C@]2(C)C[C@H]3O)O[C@@H]1C,C66H102O33,pos_3_3sodium,1422.6303357239997,BRAWHUQNAZTSAF,Terpenoids,Triterpenoids,Oleanane triterpenoids,Vaccaria hispanica,35604.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila vaccaria'],6,0,6.0
5628,2889,-1,,,,0.0,MS1_match,MUPFEKGTMRGPLJ-RMMQSMQOSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439998,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
5629,2889,-1,,,,0.0,MS1_match,MUPFEKGTMRGPLJ-RMMQSMQOSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439998,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
5630,2889,-1,,,,0.0,MS1_match,MUPFEKGTMRGPLJ-RMMQSMQOSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1potassium,504.1690349439998,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
5631,2887,-1,,,,0.0,MS1_match,UXXAEVMOIUAYQT-BDOJHUBJSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8?,16-,18?,19-,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.116211524,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
5632,2887,-1,,,,0.0,MS1_match,UXXAEVMOIUAYQT-BDOJHUBJSA-N,"InChI=1S/C22H22O11/c1-8-16(26)18(28)19(29)22(31-8)33-21-17(27)15-12(25)6-10(23)7-14(15)32-20(21)9-3-4-11(24)13(5-9)30-2/h3-8,16,18-19,22-26,28-29H,1-2H3/t8?,16-,18?,19-,22-/m0/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O,C22H22O11,pos_1_1proton,462.116211524,UXXAEVMOIUAYQT,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
5633,2885,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.21583222,ISDB,NRHLRVSITHEZFV-IXQKSYSDSA-N,"InChI=1S/C25H40O13/c1-10-7-12(27)8-25(3,4)13(10)6-5-11(2)35-24-21(17(30)15(28)14(9-26)36-24)38-23-19(32)16(29)18(31)20(37-23)22(33)34/h7,11,13-21,23-24,26,28-32H,5-6,8-9H2,1-4H3,(H,33,34)/t11-,13+,14-,15-,16+,17+,18+,19-,20+,21-,23+,24-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C25H40O13,,548.24689134,NRHLRVSITHEZFV,Terpenoids,Apocarotenoids,Megastigmanes,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,1,8.363328874111176
5634,2882,-1,,,,0.6051607,ISDB,LEAZKSVQWBGNCL-UHFFFAOYSA-N,"InChI=1S/C10H14O5/c1-4-7(11)2-5-6(9(12)13)3-15-10(14)8(4)5/h4-8,11H,2-3H2,1H3,(H,12,13)",CC1C(O)CC2C(C(=O)O)COC(=O)C12,C10H14O5,,214.084123548,LEAZKSVQWBGNCL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Jasminum,23725.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Jasmineae'],['Jasminum'],['Unknown'],4,0,6.420642852783203
5635,2880,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.49147418,ISDB,VMYXUZSZMNBRCN-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3",CC(C)=CCCC(C)c1ccc(C)cc1,C15H22,,202.172150704,VMYXUZSZMNBRCN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.965896725654602
5636,2877,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62372446,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,3,10.994897842407227
5637,2877,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62372446,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,10.994897842407227
5638,2877,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62372446,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,3,10.994897842407227
5639,2877,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.62372446,ISDB,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,3,10.994897842407227
5640,2876,561,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,PLVPPLCLBIEYEA-WAYWQWQTSA-N,"InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5-",O=C(O)/C=C\c1c[nH]c2ccccc12,C11H9NO2,pos_1_1proton,187.063328528,PLVPPLCLBIEYEA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
5641,2874,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.20516662,ISDB,IDNFDNMPJCCARF-JVNHZCFISA-N,"InChI=1S/C18H31NO6/c20-9-2-1-4-11-5-3-6-14(22)12(11)7-8-15(23)16-18(25)17(24)13(10-21)19-16/h13,15-21,23-25H,1-10H2/t13-,15-,16-,17-,18-/m1/s1",O=C1CCCC(CCCCO)=C1CC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H31NO6,,357.215137712,IDNFDNMPJCCARF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,2,5.820666491985321
5642,2874,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.20516662,ISDB,IDNFDNMPJCCARF-UHFFFAOYSA-N,"InChI=1S/C18H31NO6/c20-9-2-1-4-11-5-3-6-14(22)12(11)7-8-15(23)16-18(25)17(24)13(10-21)19-16/h13,15-21,23-25H,1-10H2",O=C1CCCC(CCCCO)=C1CCC(O)C1NC(CO)C(O)C1O,C18H31NO6,,357.215137712,IDNFDNMPJCCARF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,2,5.820666491985321
5643,2872,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2_2proton2acetonitrile,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
5644,2872,-1,,,,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_2_2proton2acetonitrile,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
5645,2871,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,HWXBTNAVRSUOJR-GSVOUGTGSA-N,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",O=C(O)CC[C@@H](O)C(=O)O,C5H8O5,pos_2MNa,148.037173356,HWXBTNAVRSUOJR,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],8,0,8.0
5646,2871,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OCIAPZWBJQRATB-UALZLMCPSA-N,"InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(20-4)19-3(9(17)18)1-5(12)13/h3-4,6-8,10-11,14-16H,1-2H2,(H,12,13)(H,17,18)/t3-,4+,6+,7-,8+,10+/m0/s1",O=C(O)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C10H16O10,pos_1_1sodium,296.074346712,OCIAPZWBJQRATB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Euphorbia pereskiifolia,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,0,8.0
5647,2867,74,Amino acids and Peptides,Small peptides,Aminoacids,0.40691388,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,2,6.627655506134033
5648,2867,74,Amino acids and Peptides,Small peptides,Aminoacids,0.40691388,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,2,6.627655506134033
5649,2866,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.24764167,ISDB,,,,,,,RNQYDXNNQJXUGE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9905666708946228
5650,2864,-1,,,,0.39886206,ISDB,NTHOSUNVVUWMGQ-VOJFVSQTSA-N,"InChI=1S/C20H20O5/c1-4-5-12-9-16-20(24-10-23-16)17-11(2)18(25-19(12)17)13-6-7-14(21)15(8-13)22-3/h4,6-9,11,18,21H,1,5,10H2,2-3H3/t11-,18-/m0/s1",C=CCc1cc2c(c3c1O[C@H](c1ccc(O)c(OC)c1)[C@H]3C)OCO2,C20H20O5,,340.13107374,NTHOSUNVVUWMGQ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Piper capense,670196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper capense'],3,0,4.59544825553894
5651,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia dracunculoides,363138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia dracunculoides'],8,3,12.711291790008545
5652,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,3,12.711291790008545
5653,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia granulata,866583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia granulata'],8,3,12.711291790008545
5654,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,3,12.711291790008545
5655,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],8,3,12.711291790008545
5656,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,3,12.711291790008545
5657,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,3,12.711291790008545
5658,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,3,12.711291790008545
5659,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,3,12.711291790008545
5660,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,3,12.711291790008545
5661,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,3,12.711291790008545
5662,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,3,12.711291790008545
5663,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,12.711291790008545
5664,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,3,12.711291790008545
5665,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sapinii,647129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sapinii'],8,3,12.711291790008545
5666,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,3,12.711291790008545
5667,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,3,12.711291790008545
5668,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,12.711291790008545
5669,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia amygdaloides,871278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia amygdaloides'],8,3,12.711291790008545
5670,2863,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80282295,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia segetalis,825700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia segetalis'],8,3,12.711291790008545
5671,2858,87,Shikimates and Phenylpropanoids,Lignans,Cinnamic acids and derivatives,0.30728275,ISDB,PPDZZRKVJAZQSX-MLPIDBQISA-N,"InChI=1S/C31H40O16/c1-41-19-6-3-15(11-17(19)33)5-8-23(35)44-14-22-25(37)29(47-31-27(39)26(38)24(36)21(13-32)45-31)28(40)30(46-22)43-10-9-16-4-7-20(42-2)18(34)12-16/h3-8,11-12,21-22,24-34,36-40H,9-10,13-14H2,1-2H3/b8-5+/t21-,22-,24-,25-,26+,27+,28+,29+,30-,31+/m1/s1",COc1ccc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(OC)c(O)c3)[C@@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)cc1O,C31H40O16,,668.2316352,PPDZZRKVJAZQSX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],4,3,6.729130983352661
5672,2855,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,KOTKJJXIFZHEFY-UHFFFAOYSA-N,"InChI=1S/C28H42O7/c1-14-12-20(35-24(32)15(14)2)16(3)27(33)11-9-18-17-13-23(31)28(34)22(30)7-6-21(29)26(28,5)19(17)8-10-25(18,27)4/h6-7,16-20,22-24,30-34H,8-13H2,1-5H3",CC1=C(C)C(O)OC(C(C)C2(O)CCC3C4CC(O)C5(O)C(O)C=CC(=O)C5(C)C4CCC32C)C1,C28H42O7,pos_1_1proton,490.2930536839999,KOTKJJXIFZHEFY,Terpenoids,Steroids,Ergostane steroids,Tubocapsicum anomalum,320694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Tubocapsicum'],['Tubocapsicum anomalum'],6,3,7.5
5673,2855,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,JAMJEDHAOGTJCL-GEHZYXHISA-N,"InChI=1S/C28H42O7/c1-14-10-21(35-25(33)15(14)2)17(13-29)19-12-20(30)24-16-11-23(32)28(34)8-5-6-22(31)27(28,4)18(16)7-9-26(19,24)3/h16-21,23-24,29-30,32,34H,5-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,23-,24-,26-,27+,28+/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@H](CO)[C@H]2C[C@@H](O)[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1,C28H42O7,pos_1_1proton,490.293053684,JAMJEDHAOGTJCL,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5
5674,2855,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,UHWZHELCERUWCD-OOHVVAOXSA-N,"InChI=1S/C28H42O7/c1-14-10-21(35-25(33)15(14)2)17(13-29)19-8-7-18-16-11-24(32)28(34)9-5-6-22(30)27(28,4)20(16)12-23(31)26(18,19)3/h16-21,23-24,29,31-32,34H,5-13H2,1-4H3/t16-,17-,18-,19+,20-,21+,23+,24+,26-,27-,28-/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](CO)[C@H]2CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(O)CCCC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C1,C28H42O7,pos_1_1proton,490.293053684,UHWZHELCERUWCD,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5
5675,2855,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,RYHUVBZFHPPSHQ-DAKZBPTQSA-N,"InChI=1S/C28H42O7/c1-14-11-21(35-25(33)17(14)13-29)15(2)18-5-6-19-16-12-24(32)28(34)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h15-16,18-21,23-24,29,31-32,34H,5-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24-,26+,27-,28+/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)CCC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O7,pos_1_1proton,490.293053684,RYHUVBZFHPPSHQ,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5
5676,2855,764,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,IJYQDIJELGDRPY-UWVKXRAUSA-N,"InChI=1S/C28H42O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h15-18,20-21,30-32H,6-14H2,1-5H3/t15-,16+,17-,18-,20-,21-,22-,23+,24+,25-,26-,27+,28-/m1/s1",C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)[C@H](O)O1)[C@]1(O)CC[C@]2(O)[C@@H]3C[C@H]4O[C@]45CCCC(=O)[C@]5(C)[C@H]3CC[C@]12C,C28H42O7,pos_1_1proton,490.293053684,IJYQDIJELGDRPY,Terpenoids,Steroids,Ergostane steroids,Jaborosa bergii,5784103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa bergii'],6,3,7.5
5677,2854,-1,,,,0.0,MS1_match,VPBUIYXHUNIYKF-UHFFFAOYSA-N,"InChI=1S/C13H22O4/c1-2-16-13(15)9-7-5-3-4-6-8-11-12(10-14)17-11/h10-12H,2-9H2,1H3",CCOC(=O)CCCCCCCC1OC1C=O,C13H22O4,pos_2MHNH3,242.151809184,VPBUIYXHUNIYKF,Fatty acids,Fatty esters,Wax monoesters,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],6,0,6.0
5678,2851,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1ammonium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
5679,2851,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1ammonium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
5680,2851,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1ammonium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
5681,2851,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1ammonium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
5682,2851,-1,,,,0.0,MS1_match,NYCXYIWXBJWWIL-PZYDOOQISA-N,"InChI=1S/C15H24O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h5-14,16-21H,1-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H24O10,pos_1_1proton1ammonium,364.1369469679999,NYCXYIWXBJWWIL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
5683,2851,-1,,,,0.0,MS1_match,XPRBGBUKKZEUFV-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)7(17)4-15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)[C@H](O)C[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O10,pos_1_1proton1ammonium,364.136946968,XPRBGBUKKZEUFV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
5684,2849,-1,,,,0.0,MS1_match,GIZSHQYTTBQKOQ-XVKPBYJWSA-N,"InChI=1S/C11H16O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,10,12-15H,5H2,1-2H3/t7-,10-/m0/s1",COc1cc([C@H](O)[C@@H](O)CO)cc(OC)c1O,C11H16O6,pos_2MHNH3,244.094688232,GIZSHQYTTBQKOQ,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Coix lacryma-jobi,83448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Coix'],['Coix lacryma-jobi'],6,0,6.0
5685,2845,-1,,,,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1acetonitrile,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lagotis yunnanensis,5145175.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Lagotis'],['Lagotis yunnanensis'],7,0,7.0
5686,2844,-1,,,,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
5687,2844,-1,,,,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
5688,2844,-1,,,,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
5689,2844,-1,,,,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
5690,2842,-1,,,,0.0,MS1_match,NBCWSGSBMHILQP-GAGVYUBLSA-N,"InChI=1S/C17H26O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h6-7,12-15,17-22H,3-5,8H2,1-2H3/t12-,13-,14+,15-,17+/m1/s1",COc1cc(CCCO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H26O9,pos_1_1proton1acetonitrile,374.1576824119999,NBCWSGSBMHILQP,,,,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
5691,2842,-1,,,,0.0,MS1_match,NBCWSGSBMHILQP-GAGVYUBLSA-N,"InChI=1S/C17H26O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h6-7,12-15,17-22H,3-5,8H2,1-2H3/t12-,13-,14+,15-,17+/m1/s1",COc1cc(CCCO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H26O9,pos_1_1proton1acetonitrile,374.1576824119999,NBCWSGSBMHILQP,,,,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
5692,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-DUXPYHPUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5693,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
5694,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
5695,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,3,8.5
5696,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)",O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.095082156,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5697,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-DUXPYHPUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+",O=C(/C=C/c1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.0950821559999,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5698,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,8.5
5699,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GWTUHAXUUFROTF-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)",O=C(C=Cc1ccc(O)c(O)c1)OC1(C(=O)O)CC(O)C(O)C(O)C1,C16H18O9,pos_1_1proton,354.095082156,GWTUHAXUUFROTF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5700,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
5701,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
5702,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5703,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,3,8.5
5704,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5705,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5706,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,3,8.5
5707,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,3,8.5
5708,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5709,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
5710,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,3,8.5
5711,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,3,8.5
5712,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
5713,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
5714,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5715,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5716,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5717,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5718,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
5719,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,3,8.5
5720,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
5721,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
5722,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5723,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
5724,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5725,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
5726,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,3,8.5
5727,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
5728,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],7,3,8.5
5729,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,3,8.5
5730,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
5731,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
5732,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,8.5
5733,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5734,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,3,8.5
5735,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea bracteata,1033061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bracteata'],7,3,8.5
5736,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
5737,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,3,8.5
5738,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Saussurea triangulata,3894833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea triangulata'],7,3,8.5
5739,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,3,8.5
5740,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,3,8.5
5741,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,3,8.5
5742,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
5743,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5744,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,3,8.5
5745,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5746,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,3,8.5
5747,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
5748,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-UHFFFAOYSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)",O=C(C=Cc1ccc(O)c(O)c1)OC1CC(O)(C(=O)O)CC(O)C1O,C16H18O9,pos_1_1proton,354.095082156,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,3,8.5
5749,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
5750,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
5751,2839,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-PNQZTZQXSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m0/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
5752,2838,-1,,,,0.0,MS1_match,UFFKFKUSUNAZJF-KGURTYBNSA-N,"InChI=1S/C21H30O12/c22-8-12(23)16(26)17(27)13(24)9-32-21-20(30)19(29)18(28)14(33-21)10-31-15(25)7-6-11-4-2-1-3-5-11/h1-7,12-14,16-24,26-30H,8-10H2/b7-6+/t12-,13-,14-,16-,17-,18-,19+,20-,21-/m1/s1",O=C(/C=C/c1ccccc1)OC[C@H]1O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O,C21H30O12,pos_1_1sodium,474.1737263999999,UFFKFKUSUNAZJF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
5753,2837,396,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,AMVINSXYOHNVTD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-6-4-11(10-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1ccc(C=CC(=O)NCCCCN)cc1O,C14H20N2O3,pos_1_1proton1ethylamine,264.1473925,AMVINSXYOHNVTD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5754,2837,396,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,SFUVCMKSYKHYLD-UHFFFAOYSA-N,"InChI=1S/C14H20N2O3/c1-19-13-10-11(4-6-12(13)17)5-7-14(18)16-9-3-2-8-15/h4-7,10,17H,2-3,8-9,15H2,1H3,(H,16,18)",COc1cc(C=CC(=O)NCCCCN)ccc1O,C14H20N2O3,pos_1_1proton1ethylamine,264.1473925,SFUVCMKSYKHYLD,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5755,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia glareosa,26283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia glareosa'],7,2,8.0
5756,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia niciciana,181004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia niciciana'],7,2,8.0
5757,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia characias,864034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia characias'],7,2,8.0
5758,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,2,8.0
5759,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia milii,97174.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia milii'],7,2,8.0
5760,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],7,2,8.0
5761,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,2,8.0
5762,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,2,8.0
5763,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,2,8.0
5764,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia niciciana,181004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia niciciana'],7,2,8.0
5765,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia glareosa,26283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia glareosa'],7,2,8.0
5766,2836,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia milii,97174.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia milii'],7,2,8.0
5767,2835,52,Terpenoids,Meroterpenoids,Tetraketide meroterpenoids,0.30328757,ISDB,KWDNQVRRYNIDTM-YFRCLAMXSA-N,"InChI=1S/C21H36O9/c1-10-12-6-11(4-5-21(28,9-23)13(12)7-14(10)24)20(2,3)30-19-18(27)17(26)16(25)15(8-22)29-19/h10-13,15-19,22-23,25-28H,4-9H2,1-3H3/t10-,11+,12-,13-,15+,16+,17-,18+,19-,21-/m0/s1",C[C@@H]1C(=O)C[C@H]2[C@H]1C[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]2(O)CO,C21H36O9,,432.2359327319999,KWDNQVRRYNIDTM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],4,1,5.713150262832642
5768,2835,52,Terpenoids,Meroterpenoids,Tetraketide meroterpenoids,0.30328757,ISDB,KWDNQVRRYNIDTM-YFRCLAMXSA-N,"InChI=1S/C21H36O9/c1-10-12-6-11(4-5-21(28,9-23)13(12)7-14(10)24)20(2,3)30-19-18(27)17(26)16(25)15(8-22)29-19/h10-13,15-19,22-23,25-28H,4-9H2,1-3H3/t10-,11+,12-,13-,15+,16+,17-,18+,19-,21-/m0/s1",C[C@@H]1C(=O)C[C@H]2[C@H]1C[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]2(O)CO,C21H36O9,,432.2359327319999,KWDNQVRRYNIDTM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Atractylodes japonica,7052196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes japonica'],4,1,5.713150262832642
5769,2834,-1,,,,0.0,MS1_match,FLJRXICXLUZYBE-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)",CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,FLJRXICXLUZYBE,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5770,2834,-1,,,,0.0,MS1_match,RKSYUYCKHRVFNL-UHFFFAOYSA-N,"InChI=1S/C18H30O4/c1-2-17(22-21)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20/h3,5,9,11,13,15,17,21H,2,4,6-8,10,12,14,16H2,1H3,(H,19,20)",CCC(C=CC=CCC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,RKSYUYCKHRVFNL,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5771,2834,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5772,2834,-1,,,,0.0,MS1_match,UYQGVDXDXBAABN-UOCHBDKQSA-N,"InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7?,11-3+,15-12?",CC/C=C/CC(C=CC=CCCCCCCCC(=O)O)OO,C18H30O4,pos_1_1sodium,310.21440943999994,UYQGVDXDXBAABN,Fatty acids,Fatty Acids and Conjugates,Hydroperoxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
5773,2829,-1,,,,0.0,MS1_match,YEBUCUUUIMSRKB-YUZWDKKQSA-N,"InChI=1S/C19H26O5/c1-11(2)18(21)23-15-8-12(3)6-5-7-14(10-20)9-16-17(15)13(4)19(22)24-16/h6,9,11,15-17,20H,4-5,7-8,10H2,1-3H3/b12-6+,14-9-/t15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,YEBUCUUUIMSRKB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
5774,2829,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
5775,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
5776,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
5777,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,0,7.0
5778,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
5779,2829,-1,,,,0.0,MS1_match,PHJYCLCTXRJHJZ-SMLCLMEVSA-N,"InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2/t13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,PHJYCLCTXRJHJZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
5780,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
5781,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
5782,2829,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
5783,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
5784,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
5785,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
5786,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
5787,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
5788,2829,-1,,,,0.0,MS1_match,YEBUCUUUIMSRKB-YUZWDKKQSA-N,"InChI=1S/C19H26O5/c1-11(2)18(21)23-15-8-12(3)6-5-7-14(10-20)9-16-17(15)13(4)19(22)24-16/h6,9,11,15-17,20H,4-5,7-8,10H2,1-3H3/b12-6+,14-9-/t15-,16+,17+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(C)C)[C@@H]12,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,YEBUCUUUIMSRKB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus intybaceus,404582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus intybaceus'],7,0,7.0
5789,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,0,7.0
5790,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
5791,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
5792,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
5793,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
5794,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
5795,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
5796,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
5797,2829,-1,,,,0.0,MS1_match,XXEXZAUEFIXLCX-NKPHKUNOSA-N,"InChI=1S/C19H26O5/c1-8(2)7-23-18-15-11(5)19(22)24-17(15)14-10(4)13(20)6-12(14)9(3)16(18)21/h8,12-18,20-21H,3-7H2,1-2H3/t12-,13-,14-,15-,16+,17+,18+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OCC(C)C)[C@H](O)C(=C)[C@@H]1C[C@H](O)C(=C)[C@H]21,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,XXEXZAUEFIXLCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
5798,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
5799,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,0,7.0
5800,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
5801,2829,-1,,,,0.0,MS1_match,OMQCWEJQYPUGJG-DTDIXVHCSA-N,"InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,OMQCWEJQYPUGJG,Terpenoids,Steroids,Androstane steroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
5802,2829,-1,,,,0.0,MS1_match,OMQCWEJQYPUGJG-DTDIXVHCSA-N,"InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,OMQCWEJQYPUGJG,Terpenoids,Steroids,Androstane steroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
5803,2829,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O5,pos_1_1proton1ethylamine,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea linifolia,528737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea linifolia'],7,0,7.0
5804,2829,-1,,,,0.0,MS1_match,OMQCWEJQYPUGJG-XZDQPVSKSA-N,"InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14-,15-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,OMQCWEJQYPUGJG,Terpenoids,Steroids,Androstane steroids,Serratula tinctoria,879496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Serratula'],['Serratula tinctoria'],7,0,7.0
5805,2829,-1,,,,0.0,MS1_match,OMQCWEJQYPUGJG-DTDIXVHCSA-N,"InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,OMQCWEJQYPUGJG,Terpenoids,Steroids,Androstane steroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
5806,2829,-1,,,,0.0,MS1_match,OMQCWEJQYPUGJG-DTDIXVHCSA-N,"InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,OMQCWEJQYPUGJG,Terpenoids,Steroids,Androstane steroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
5807,2829,-1,,,,0.0,MS1_match,OMQCWEJQYPUGJG-XZDQPVSKSA-N,"InChI=1S/C19H26O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-15,21-22,24H,3-6,8-9H2,1-2H3/t10-,12-,14-,15-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O,C19H26O5,pos_1_1proton1acetonitrile,334.178023932,OMQCWEJQYPUGJG,Terpenoids,Steroids,Androstane steroids,Serratula tinctoria,879496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Serratula'],['Serratula tinctoria'],7,0,7.0
5808,2828,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
5809,2828,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
5810,2828,-1,,,,0.0,MS1_match,RAFHNDRXYHOLSH-SFTVRKLSSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1",O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H22O11,pos_1_1sodium,450.1162115239999,RAFHNDRXYHOLSH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
5811,2828,-1,,,,0.0,MS1_match,DMUFTHUNUKRXSC-KYSZGLPYSA-N,"InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-5,13,16,18-25,27-29H,6-7H2/t13-,16-,18-,19+,20-,21-/m1/s1",O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21,C21H22O11,pos_1_1sodium,450.116211524,DMUFTHUNUKRXSC,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Sorghum,553001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Unknown'],6,0,6.0
5812,2827,-1,,,,0.4971786,ISDB,DRMIXJGFDXRPMS-INIZCTEOSA-N,"InChI=1S/C16H20O3/c1-9(2)11-6-12-10(3)15(18)14(19-5)8-16(12,4)7-13(11)17/h6,8-9H,7H2,1-5H3/t16-/m0/s1",COC1=C[C@]2(C)CC(=O)C(C(C)C)=CC2=C(C)C1=O,C16H20O3,,260.1412445,DRMIXJGFDXRPMS,Terpenoids,Diterpenoids,,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],4,0,5.9887144565582275
5813,2826,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9819837,ISDB,CXTATJFJDMJMIY-CYBMUJFWSA-N,"InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-15(19)20-13(11-14(17)18)12-16(2,3)4/h13H,5-12H2,1-4H3/t13-/m1/s1",CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C15H29NO4,,287.209658408,CXTATJFJDMJMIY,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,7.427934885025024
5814,2823,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5089487,ISDB,ZWRGIDKDYJXLHP-UHFFFAOYSA-N,"InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)",CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2,C21H21NO7,,399.1318020119999,ZWRGIDKDYJXLHP,Shikimates and Phenylpropanoids,,,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],1,0,3.035794734954834
5815,2823,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5089487,ISDB,ZWRGIDKDYJXLHP-UHFFFAOYSA-N,"InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)",CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2,C21H21NO7,,399.1318020119999,ZWRGIDKDYJXLHP,Shikimates and Phenylpropanoids,,,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],1,0,3.035794734954834
5816,2823,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5089487,ISDB,ZWRGIDKDYJXLHP-UHFFFAOYSA-N,"InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)",CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2,C21H21NO7,,399.1318020119999,ZWRGIDKDYJXLHP,Shikimates and Phenylpropanoids,,,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],1,0,3.035794734954834
5817,2823,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5089487,ISDB,ZWRGIDKDYJXLHP-UHFFFAOYSA-N,"InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)",CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2,C21H21NO7,,399.1318020119999,ZWRGIDKDYJXLHP,Shikimates and Phenylpropanoids,,,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],1,0,3.035794734954834
5818,2823,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5089487,ISDB,ZWRGIDKDYJXLHP-UHFFFAOYSA-N,"InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)",CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2,C21H21NO7,,399.1318020119999,ZWRGIDKDYJXLHP,Shikimates and Phenylpropanoids,,,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],1,0,3.035794734954834
5819,2823,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.5089487,ISDB,ZWRGIDKDYJXLHP-UHFFFAOYSA-N,"InChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)",CN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2,C21H21NO7,,399.1318020119999,ZWRGIDKDYJXLHP,Shikimates and Phenylpropanoids,,,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],1,0,3.035794734954834
5820,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],6,3,10.574995517730713
5821,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lamprocapnos spectabilis,928569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Lamprocapnos'],['Lamprocapnos spectabilis'],6,3,10.574995517730713
5822,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,3,10.574995517730713
5823,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,3,10.574995517730713
5824,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,3,10.574995517730713
5825,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,10.574995517730713
5826,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver macrostomum,84036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver macrostomum'],6,3,10.574995517730713
5827,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,3,10.574995517730713
5828,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,10.574995517730713
5829,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,3,10.574995517730713
5830,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,10.574995517730713
5831,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver arenarium,5727880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver arenarium'],6,3,10.574995517730713
5832,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,10.574995517730713
5833,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,3,10.574995517730713
5834,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,3,10.574995517730713
5835,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,3,10.574995517730713
5836,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,10.574995517730713
5837,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria judaica,5503537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria judaica'],6,3,10.574995517730713
5838,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,3,10.574995517730713
5839,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,10.574995517730713
5840,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,10.574995517730713
5841,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,3,10.574995517730713
5842,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,10.574995517730713
5843,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,3,10.574995517730713
5844,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gigantea,5727959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gigantea'],6,3,10.574995517730713
5845,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,10.574995517730713
5846,2820,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.7687489,ISDB,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,10.574995517730713
5847,2818,-1,,,,0.0,MS1_match,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,pos_1_1proton,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
5848,2810,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.5170411,ISDB,VGWBNVOKYXNHPW-JIIWBXOFSA-N,"InChI=1S/C21H20O12/c22-5-14-17(28)19(30)20(31)21(33-14)16-11(27)4-13-15(18(16)29)10(26)3-12(32-13)6-1-8(24)9(25)2-7(6)23/h1-4,14,17,19-25,27-31H,5H2/t14-,17+,19-,20+,21-/m0/s1",O=c1cc(-c2cc(O)c(O)cc2O)oc2cc(O)c([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O12,,464.09547608,VGWBNVOKYXNHPW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,3,10.568164348602295
5849,2809,-1,,,,0.0,MS1_match,FZKBNCDAGYDHTP-OBLZSLNYSA-N,"InChI=1S/C21H20O12/c22-8-4-11(25)14-12(5-8)32-19(7-1-2-9(23)10(24)3-7)20(16(14)27)31-6-13-15(26)17(28)18(29)21(30)33-13/h1-5,13,15,17-18,21-26,28-30H,6H2/t13?,15-,17-,18+,21?/m1/s1",O=c1c(OCC2OC(O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,FZKBNCDAGYDHTP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,0,7.0
5850,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],7,0,7.0
5851,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],7,0,7.0
5852,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],7,0,7.0
5853,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],7,0,7.0
5854,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],7,0,7.0
5855,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],7,0,7.0
5856,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],7,0,7.0
5857,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],7,0,7.0
5858,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],7,0,7.0
5859,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],7,0,7.0
5860,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
5861,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,0,7.0
5862,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],7,0,7.0
5863,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],7,0,7.0
5864,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,0,7.0
5865,2809,-1,,,,0.0,MS1_match,OPJZLUXFQFQYAI-GNPVFZCLSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],7,0,7.0
5866,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],7,0,7.0
5867,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
5868,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],7,0,7.0
5869,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,0,7.0
5870,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],7,0,7.0
5871,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],7,0,7.0
5872,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],7,0,7.0
5873,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],7,0,7.0
5874,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],7,0,7.0
5875,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],7,0,7.0
5876,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
5877,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],7,0,7.0
5878,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],7,0,7.0
5879,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
5880,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],7,0,7.0
5881,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],7,0,7.0
5882,2809,-1,,,,0.0,MS1_match,OPJZLUXFQFQYAI-GNPVFZCLSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia marschalliana,969004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia marschalliana'],7,0,7.0
5883,2809,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],7,0,7.0
5884,2809,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
5885,2809,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,0,7.0
5886,2809,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],7,0,7.0
5887,2809,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
5888,2809,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1proton,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,0,7.0
5889,2809,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
5890,2809,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia macroclada,3912086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia macroclada'],7,0,7.0
5891,2809,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
5892,2809,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia macroclada,3912086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia macroclada'],7,0,7.0
5893,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],7,0,7.0
5894,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],7,0,7.0
5895,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],7,0,7.0
5896,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],7,0,7.0
5897,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
5898,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,0,7.0
5899,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],7,0,7.0
5900,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,0,7.0
5901,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],7,0,7.0
5902,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
5903,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],7,0,7.0
5904,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
5905,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],7,0,7.0
5906,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,0,7.0
5907,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],7,0,7.0
5908,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],7,0,7.0
5909,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],7,0,7.0
5910,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],7,0,7.0
5911,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],7,0,7.0
5912,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],7,0,7.0
5913,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
5914,2809,-1,,,,0.0,MS1_match,GQLIHCFGTZHRID-UHFFFAOYSA-N,"InChI=1S/C27H22O5/c1-16(2)13-14-19-25(30)22-20(17-9-5-3-6-10-17)15-21(28)32-27(22)23(26(19)31)24(29)18-11-7-4-8-12-18/h3-13,15,30-31H,14H2,1-2H3",CC(C)=CCc1c(O)c(C(=O)c2ccccc2)c2oc(=O)cc(-c3ccccc3)c2c1O,C27H22O5,pos_1_minus1proton1calcium,426.146723804,GQLIHCFGTZHRID,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
5915,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],7,0,7.0
5916,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
5917,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
5918,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,0,7.0
5919,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],7,0,7.0
5920,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,0,7.0
5921,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],7,0,7.0
5922,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],7,0,7.0
5923,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
5924,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],7,0,7.0
5925,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],7,0,7.0
5926,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],7,0,7.0
5927,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],7,0,7.0
5928,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],7,0,7.0
5929,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],7,0,7.0
5930,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,0,7.0
5931,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],7,0,7.0
5932,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
5933,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],7,0,7.0
5934,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],7,0,7.0
5935,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],7,0,7.0
5936,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],7,0,7.0
5937,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],7,0,7.0
5938,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],7,0,7.0
5939,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],7,0,7.0
5940,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],7,0,7.0
5941,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],7,0,7.0
5942,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],7,0,7.0
5943,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],7,0,7.0
5944,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],7,0,7.0
5945,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],7,0,7.0
5946,2809,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],7,0,7.0
5947,2806,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5948,2806,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
5949,2805,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,pos_1_1proton,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
5950,2801,-1,,,,0.0,MS1_match,UYPOIYOXALXFNN-UFANGNBOSA-N,"InChI=1S/C36H52O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-30(39)44-35-20-25(3)36(42)28(31(35)33(35,5)23-43-26(4)38)19-27(22-37)21-34(41)29(36)18-24(2)32(34)40/h13-16,18-19,25,28-29,31,37,41-42H,6-12,17,20-23H2,1-5H3/b14-13+,16-15+/t25-,28+,29-,31-,33-,34-,35+,36-/m1/s1",CCCCCCCC/C=C/C=C/CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(C)=O,C36H52O8,pos_2_1proton1sodium,612.366218624,UYPOIYOXALXFNN,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Falconeria insignis,3914767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Unknown'],['Falconeria'],['Falconeria insignis'],6,0,6.0
5951,2801,-1,,,,0.0,MS1_match,NEZVVESVXBEHTR-YYHKZOSKSA-N,"InChI=1S/C36H52O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(38)43-34-21-24(3)35(41)25-20-23(2)29(39)36(25,42)31(40)33(22-37)30(44-33)27(35)28(34)32(34,4)5/h14-20,24-25,27-28,30-31,37,40-42H,6-13,21-22H2,1-5H3/b15-14+,17-16+,19-18+/t24-,25+,27-,28-,30+,31-,33+,34+,35+,36-/m1/s1",CCCCCCCCC/C=C/C=C/C=C/C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]13,C36H52O8,pos_2_1proton1sodium,612.366218624,NEZVVESVXBEHTR,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Hippomane mancinella,34866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Hippomane'],['Hippomane mancinella'],6,0,6.0
5952,2801,-1,,,,0.0,MS1_match,SJUQVJAGIYBTCQ-ITVWSWGGSA-N,"InChI=1S/C34H54O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(36)41-32-19-22(3)33(39)23-18-21(2)27(37)34(23,40)29(38)31(20-35)28(42-31)25(33)26(32)30(32,4)5/h18,22-23,25-26,28-29,35,38-40H,6-17,19-20H2,1-5H3/t22-,23+,25-,26-,28+,29-,31+,32+,33+,34-/m1/s1",CCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@H]([C@@H]1C2(C)C)[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]13,C34H54O8,pos_2_2sodium,590.381868688,SJUQVJAGIYBTCQ,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Neoboutonia macrocalyx,3913247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia macrocalyx'],6,0,6.0
5953,2801,-1,,,,0.0,MS1_match,ZHXZFMUKNSGMQD-UHFFFAOYSA-N,"InChI=1S/C29H44O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-7-28(13-30)16(10-17)3-4-19-22(28)20(31)11-27(2)18(6-8-29(19,27)36)15-9-21(32)37-12-15/h9,14,16-20,22-26,30-31,33-36H,3-8,10-13H2,1-2H3",CC1OC(OC2CCC3(CO)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(O)C(O)C1O,C29H44O10,pos_2_2proton2acetonitrile,552.293447608,ZHXZFMUKNSGMQD,Terpenoids,Steroids,Cardenolides,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],6,0,6.0
5954,2801,-1,,,,0.0,MS1_match,ZHXZFMUKNSGMQD-ABSNANKMSA-N,"InChI=1S/C29H44O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-7-28(13-30)16(10-17)3-4-19-22(28)20(31)11-27(2)18(6-8-29(19,27)36)15-9-21(32)37-12-15/h9,14,16-20,22-26,30-31,33-36H,3-8,10-13H2,1-2H3/t14-,16-,17-,18+,19+,20+,22+,23-,24+,25+,26-,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(CO)[C@@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O,C29H44O10,pos_2_2proton2acetonitrile,552.293447608,ZHXZFMUKNSGMQD,Terpenoids,Steroids,Cardenolides,Mallotus nudiflorus,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],6,0,6.0
5955,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
5956,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
5957,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
5958,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
5959,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
5960,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
5961,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
5962,2800,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
5963,2795,-1,,,,0.5427914,ISDB,ULORBDMEFAYHRJ-XYJFISCASA-N,"InChI=1S/C18H26O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15-16,19-20H,5-8H2,1-4H3/t15-,16-,18+/m0/s1",Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C18H26O2,,274.193280072,ULORBDMEFAYHRJ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Jatropha curcas,916001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha curcas'],1,0,3.171165704727173
5964,2795,-1,,,,0.5427914,ISDB,ULORBDMEFAYHRJ-XYJFISCASA-N,"InChI=1S/C18H26O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15-16,19-20H,5-8H2,1-4H3/t15-,16-,18+/m0/s1",Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2,C18H26O2,,274.193280072,ULORBDMEFAYHRJ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Jatropha multifida,864022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha multifida'],1,0,3.171165704727173
5965,2795,-1,,,,0.5427914,ISDB,ULORBDMEFAYHRJ-RYRKJORJSA-N,"InChI=1S/C18H26O2/c1-11-9-12-5-6-15-17(2,3)16(20)7-8-18(15,4)13(12)10-14(11)19/h9-10,15-16,19-20H,5-8H2,1-4H3/t15-,16+,18+/m1/s1",Cc1cc2c(cc1O)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC2,C18H26O2,,274.193280072,ULORBDMEFAYHRJ,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Flueggea virosa,351505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Flueggea'],['Flueggea virosa'],1,0,3.171165704727173
5966,2794,218,Amino acids and Peptides,Small peptides,Aminoacids,0.6388291,ISDB,OTDQYOVYQQZAJL-UHFFFAOYSA-N,"InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)",Nc1ccc(O)cc1C(=O)CC(N)C(=O)O,C10H12N2O4,,224.079706864,OTDQYOVYQQZAJL,Amino acids and Peptides,Small peptides,Aminoacids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.05531644821167
5967,2791,-1,,,,0.0,MS1_match,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",O=C(O)CCCCCCCC(=O)O,C9H16O4,pos_2MNa,188.104858992,BDJRBEYXGGNYIS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
5968,2791,-1,,,,0.0,MS1_match,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",O=C(O)CCCCCCCC(=O)O,C9H16O4,pos_2MNa,188.104858992,BDJRBEYXGGNYIS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
5969,2791,-1,,,,0.0,MS1_match,BDJRBEYXGGNYIS-UHFFFAOYSA-N,"InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)",O=C(O)CCCCCCCC(=O)O,C9H16O4,pos_2MNa,188.104858992,BDJRBEYXGGNYIS,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
5970,2790,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,FZKCYZNAORCYGO-HEGMYTHOSA-N,"InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22-,28-,29+,30+,31-,32+,35+/m0/s1",CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]12OC(C)=O,C35H46O10,pos_1_1sodium,626.309097672,FZKCYZNAORCYGO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
5971,2788,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HWXBTNAVRSUOJR-GSVOUGTGSA-N,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",O=C(O)CC[C@@H](O)C(=O)O,C5H8O5,pos_2MHNH3,148.037173356,HWXBTNAVRSUOJR,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],8,0,8.0
5972,2788,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OCIAPZWBJQRATB-UALZLMCPSA-N,"InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(20-4)19-3(9(17)18)1-5(12)13/h3-4,6-8,10-11,14-16H,1-2H2,(H,12,13)(H,17,18)/t3-,4+,6+,7-,8+,10+/m0/s1",O=C(O)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C10H16O10,pos_1_1proton1ammonium,296.074346712,OCIAPZWBJQRATB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Euphorbia pereskiifolia,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,0,8.0
5973,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
5974,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,1,6.5
5975,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,1,6.5
5976,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,1,6.5
5977,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,1,6.5
5978,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
5979,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,1,6.5
5980,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,1,6.5
5981,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,1,6.5
5982,2785,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,1,6.5
5983,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QGJOZBRXAVBQQO-NBOCGJDNSA-N,"InChI=1S/C22H30O5/c1-7-12(2)21(24)27-19-9-16-8-18-17(13(3)11-25-18)10-22(16,6)14(4)20(19)26-15(5)23/h7,11,14,16,19-20H,8-10H2,1-6H3/b12-7-/t14-,16+,19-,20-,22-/m0/s1",C/C=C(/C)C(=O)O[C@H]1C[C@H]2Cc3occ(C)c3C[C@@]2(C)[C@@H](C)[C@@H]1OC(C)=O,C22H30O5,pos_2MCa,374.20932406,QGJOZBRXAVBQQO,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna,518548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Unknown'],6,2,7.0
5984,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LJMVPNYZXHUHTL-UHFFFAOYSA-N,"InChI=1S/C22H30O5/c1-7-12(2)21(24)27-17-9-8-16-10-18-19(13(3)11-25-18)20(26-15(5)23)22(16,6)14(17)4/h7,11,14,16-17,20H,8-10H2,1-6H3",CC=C(C)C(=O)OC1CCC2Cc3occ(C)c3C(OC(C)=O)C2(C)C1C,C22H30O5,pos_2MCa,374.20932406,LJMVPNYZXHUHTL,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Farfugium hiberniflorum,937922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Farfugium'],['Farfugium hiberniflorum'],6,2,7.0
5985,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LJMVPNYZXHUHTL-HGABZHHESA-N,"InChI=1S/C22H30O5/c1-7-12(2)21(24)27-17-9-8-16-10-18-19(13(3)11-25-18)20(26-15(5)23)22(16,6)14(17)4/h7,11,14,16-17,20H,8-10H2,1-6H3/b12-7-/t14-,16+,17-,20+,22-/m0/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(C)=O)[C@@]2(C)[C@H]1C,C22H30O5,pos_2MCa,374.20932406,LJMVPNYZXHUHTL,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna,518548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Unknown'],6,2,7.0
5986,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BFTOORVCRFGUHC-DQLUXGLISA-N,"InChI=1S/C22H30O5/c1-12(2)7-20(24)27-19-9-16-8-18-17(13(3)11-25-18)10-22(16,6)14(4)21(19)26-15(5)23/h7,11,14,16,19,21H,8-10H2,1-6H3/t14-,16+,19-,21-,22-/m0/s1",CC(=O)O[C@@H]1[C@@H](OC(=O)C=C(C)C)C[C@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1C,C22H30O5,pos_2MCa,374.20932406,BFTOORVCRFGUHC,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna,518548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Unknown'],6,2,7.0
5987,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XYKLXGAMSCMNFT-SGXJKGMRSA-N,"InChI=1S/C22H30O5/c1-7-12(2)21(24)27-20-14(4)22(6)10-17-13(3)11-25-18(17)8-16(22)9-19(20)26-15(5)23/h7,11,14,16,19-20H,8-10H2,1-6H3/b12-7-/t14-,16-,19-,20+,22-/m0/s1",C/C=C(/C)C(=O)O[C@H]1[C@@H](OC(C)=O)C[C@@H]2Cc3occ(C)c3C[C@@]2(C)[C@H]1C,C22H30O5,pos_2MCa,374.20932406,XYKLXGAMSCMNFT,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna,518548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Unknown'],6,2,7.0
5988,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HLYBLRRKNWNJDY-MCLQFBEPSA-N,"InChI=1S/C22H30O5/c1-7-12(2)21(24)27-17-9-8-14(4)22(6)16(17)10-18-19(13(3)11-25-18)20(22)26-15(5)23/h7,11,14,16-17,20H,8-10H2,1-6H3/b12-7-/t14-,16-,17+,20+,22+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C[C@@H]12,C22H30O5,pos_2MCa,374.20932406,HLYBLRRKNWNJDY,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Gynoxys nitida,7610206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynoxys'],['Gynoxys nitida'],6,2,7.0
5989,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HLYBLRRKNWNJDY-MCLQFBEPSA-N,"InChI=1S/C22H30O5/c1-7-12(2)21(24)27-17-9-8-14(4)22(6)16(17)10-18-19(13(3)11-25-18)20(22)26-15(5)23/h7,11,14,16-17,20H,8-10H2,1-6H3/b12-7-/t14-,16-,17+,20+,22+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C[C@@H]12,C22H30O5,pos_2MCa,374.20932406,HLYBLRRKNWNJDY,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Gynoxys acostae,7610122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynoxys'],['Gynoxys acostae'],6,2,7.0
5990,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,WLIJCKKLLBSAMW-INMDSIMCSA-N,"InChI=1S/C22H30O5/c1-12(2)9-19(24)27-17-8-7-14(4)22(6)16(17)10-18-20(13(3)11-25-18)21(22)26-15(5)23/h9,11,14,16-17,21H,7-8,10H2,1-6H3/t14-,16-,17+,21+,22+/m0/s1",CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@@]12C,C22H30O5,pos_2MCa,374.20932406,WLIJCKKLLBSAMW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Gynoxys acostae,7610122.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynoxys'],['Gynoxys acostae'],6,2,7.0
5991,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,WLIJCKKLLBSAMW-INMDSIMCSA-N,"InChI=1S/C22H30O5/c1-12(2)9-19(24)27-17-8-7-14(4)22(6)16(17)10-18-20(13(3)11-25-18)21(22)26-15(5)23/h9,11,14,16-17,21H,7-8,10H2,1-6H3/t14-,16-,17+,21+,22+/m0/s1",CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@@]12C,C22H30O5,pos_2MCa,374.20932406,WLIJCKKLLBSAMW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Gynoxys nitida,7610206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Gynoxys'],['Gynoxys nitida'],6,2,7.0
5992,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,WSFSOZDLQDYURS-MXHVWWQHSA-N,"InChI=1S/C22H30O5/c1-9-14(4)22(24)27-18(11-10-13(2)3)15(5)17-12-19(25-7)16(6)21(26-8)20(17)23/h9-10,12,18,23H,5,11H2,1-4,6-8H3/b14-9+/t18-/m0/s1",C=C(c1cc(OC)c(C)c(OC)c1O)[C@H](CC=C(C)C)OC(=O)/C(C)=C/C,C22H30O5,pos_2MCa,374.20932406,WSFSOZDLQDYURS,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Senecio oxyodontus,7609556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio oxyodontus'],6,2,7.0
5993,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,WSFSOZDLQDYURS-MXHVWWQHSA-N,"InChI=1S/C22H30O5/c1-9-14(4)22(24)27-18(11-10-13(2)3)15(5)17-12-19(25-7)16(6)21(26-8)20(17)23/h9-10,12,18,23H,5,11H2,1-4,6-8H3/b14-9+/t18-/m0/s1",C=C(c1cc(OC)c(C)c(OC)c1O)[C@H](CC=C(C)C)OC(=O)/C(C)=C/C,C22H30O5,pos_2MCa,374.20932406,WSFSOZDLQDYURS,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Chersodoma candida,7610078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Chersodoma'],['Chersodoma candida'],6,2,7.0
5994,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HYQALHGQBHHHNT-YTHCPPIISA-N,"InChI=1S/C22H30O5/c1-8-12(2)18(25)27-19-20(5,6)17-15(26-14(4)23)11-13(3)22(17)10-9-16(24)21(19,22)7/h8-10,13,15,17,19H,11H2,1-7H3/b12-8+/t13-,15-,17+,19+,21+,22+/m1/s1",C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](OC(C)=O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C,C22H30O5,pos_2MCa,374.2093240599999,HYQALHGQBHHHNT,Terpenoids,Sesquiterpenoids,Silphinane sesquiterpenoids,Bethencourtia palmensis,783426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Bethencourtia'],['Bethencourtia palmensis'],6,2,7.0
5995,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BDSWFNVYPZVFAO-YTHCPPIISA-N,"InChI=1S/C22H30O5/c1-8-12(2)18(25)27-19-20(5,6)17-15(26-14(4)23)11-13(3)22(17)10-9-16(24)21(19,22)7/h8-10,13,15,17,19,23H,4,11H2,1-3,5-7H3/b12-8+/t13-,15-,17+,19+,21+,22+/m1/s1",C=C(O)O[C@@H]1C[C@@H](C)[C@]23C=CC(=O)[C@@]2(C)[C@@H](OC(=O)/C(C)=C/C)C(C)(C)[C@H]13,C22H30O5,pos_2MCa,374.20932406,BDSWFNVYPZVFAO,Terpenoids,Sesquiterpenoids,Silphinane sesquiterpenoids,Cineraria geifolia,792676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Cineraria geifolia'],6,2,7.0
5996,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,NDAJKZJCHFSTHB-SSJYXTESSA-N,"InChI=1S/C22H30O5/c1-8-11(2)20(25)27-15-10-16(26-13(4)23)22(7)17-12(3)9-14(24)18(22)19(17)21(15,5)6/h8-9,15-19H,10H2,1-7H3/b11-8-/t15-,16-,17+,18-,19+,22-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C,C22H30O5,pos_2MCa,374.20932406,NDAJKZJCHFSTHB,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia lucida,431728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia lucida'],6,2,7.0
5997,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,NDAJKZJCHFSTHB-SSJYXTESSA-N,"InChI=1S/C22H30O5/c1-8-11(2)20(25)27-15-10-16(26-13(4)23)22(7)17-12(3)9-14(24)18(22)19(17)21(15,5)6/h8-9,15-19H,10H2,1-7H3/b11-8-/t15-,16-,17+,18-,19+,22-/m1/s1",C/C=C(/C)C(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C,C22H30O5,pos_2MCa,374.20932406,NDAJKZJCHFSTHB,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia salicifolia,1079882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia salicifolia'],6,2,7.0
5998,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HKEONPHWSUCJPX-GAWUGPNSSA-N,"InChI=1S/C22H30O5/c1-12(2)9-19(24)27-21-20-13(3)11-25-18(20)10-16-7-8-17(26-15(5)23)14(4)22(16,21)6/h7,11-12,14,17,21H,8-10H2,1-6H3/t14-,17-,21+,22+/m0/s1",CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](OC(=O)CC(C)C)[C@]2(C)[C@H]1C,C22H30O5,pos_2MCa,374.20932406,HKEONPHWSUCJPX,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio subumbellatus,5739765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio subumbellatus'],6,2,7.0
5999,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HYQALHGQBHHHNT-YTHCPPIISA-N,"InChI=1S/C22H30O5/c1-8-12(2)18(25)27-19-20(5,6)17-15(26-14(4)23)11-13(3)22(17)10-9-16(24)21(19,22)7/h8-10,13,15,17,19H,11H2,1-7H3/b12-8+/t13-,15-,17+,19+,21+,22+/m1/s1",C/C=C(\C)C(=O)O[C@H]1C(C)(C)[C@@H]2[C@H](OC(C)=O)C[C@@H](C)[C@@]23C=CC(=O)[C@@]13C,C22H30O5,pos_2MCa,374.2093240599999,HYQALHGQBHHHNT,Terpenoids,Sesquiterpenoids,Silphinane sesquiterpenoids,Cineraria geifolia,792676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Cineraria geifolia'],6,2,7.0
6000,2784,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DXXNRRAYPLARAY-SHAZKNBMSA-N,"InChI=1S/C22H30O5/c1-7-12(2)20(25)26-11-22(6)16(27-14(4)23)8-9-21(5)17-13(3)10-15(24)18(21)19(17)22/h7,10,16-19H,8-9,11H2,1-6H3/b12-7-/t16-,17+,18-,19+,21-,22+/m1/s1",C/C=C(/C)C(=O)OC[C@]1(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)CC[C@H]1OC(C)=O,C22H30O5,pos_2MCa,374.20932406,DXXNRRAYPLARAY,Terpenoids,Sesquiterpenoids,Longipinane sesquiterpenoids,Stevia origanoides,282029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia origanoides'],6,2,7.0
6001,2781,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MH,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Herniaria,300032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Herniaria'],['Unknown'],6,0,6.0
6002,2781,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MH,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Paronychia kapela,725531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Paronychieae'],['Paronychia'],['Paronychia kapela'],6,0,6.0
6003,2781,-1,,,,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_2MH,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dianthus caryophyllus,842200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus caryophyllus'],6,0,6.0
6004,2779,-1,,,,0.41824234,ISDB,KUPRFGZRDQGGDP-UNWYWBRGSA-N,"InChI=1S/C30H46O5/c1-18(2)8-11-23(32)28(7)30(34)17-16-27(6)20-9-10-21-25(3,4)22(31)13-14-26(21,5)19(20)12-15-29(27,30)24(33)35-28/h9,12,18,21-23,31-32,34H,8,10-11,13-17H2,1-7H3/t21-,22+,23+,26-,27-,28-,29-,30+/m1/s1",CC(C)CC[C@H](O)[C@@]1(C)OC(=O)[C@]23CC=C4C(=CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@@]2(C)CC[C@@]31O,C30H46O5,,486.334524572,KUPRFGZRDQGGDP,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Holothuria poli,107769.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Holothuroidea'],['Aspidochirotida'],['Holothuriidae'],['Unknown'],['Holothuria'],['Holothuria poli'],2,0,3.672969341278076
6005,2778,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.38821915,ISDB,LAIUZQCFIABNDP-UHFFFAOYSA-N,"InChI=1S/C18H32O4/c1-2-3-7-10-14-16(21-14)13-17-15(22-17)11-8-5-4-6-9-12-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)",CCCCCC1OC1CC1OC1CCCCCCCC(=O)O,C18H32O4,,312.230059504,LAIUZQCFIABNDP,Fatty acids,Fatty Acids and Conjugates,Epoxy fatty acids,Bos taurus,490099.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Artiodactyla'],['Bovidae'],['Unknown'],['Bos'],['Bos taurus'],2,2,4.552876591682434
6006,2777,148,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.48546526,ISDB,NJLNIOKPXKKALD-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-6,10H,1,7H2,2-3H3",C=C(C)C1C=CC(C)=CC1,C10H14,,134.109550448,NJLNIOKPXKKALD,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,11.441861033439636
6007,2776,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67698616,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio nebrodensis,436584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nebrodensis'],6,2,9.707944631576538
6008,2776,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67698616,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio duriaei,436584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nebrodensis'],6,2,9.707944631576538
6009,2776,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67698616,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio squalidus,436593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio squalidus'],6,2,9.707944631576538
6010,2776,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67698616,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio lividus,962482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio lividus'],6,2,9.707944631576538
6011,2775,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_2MHCH3CN,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
6012,2775,-1,,,,0.0,MS1_match,SFCRZVSQIVWLKR-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3",CCCCC(C)CCOC(C)=O,C10H20O2,pos_2MHCH3CN,172.14632988,SFCRZVSQIVWLKR,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
6013,2775,-1,,,,0.0,MS1_match,YYZUSRORWSJGET-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3",CCCCCCCC(=O)OCC,C10H20O2,pos_2MHCH3CN,172.14632988,YYZUSRORWSJGET,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
6014,2775,-1,,,,0.0,MS1_match,OAOABCKPVCUNKO-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",CC(C)CCCCCCC(=O)O,C10H20O2,pos_2MHCH3CN,172.14632988,OAOABCKPVCUNKO,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
6015,2774,198,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.5144945,ISDB,ZOKXIFXOULCJPE-SAUXFKQKSA-N,"InChI=1S/C13H23NO2/c1-5-7-8-11(4)13(16)14-12(9-15)10(3)6-2/h5,7-8,10,12,15H,6,9H2,1-4H3,(H,14,16)/b7-5+,11-8+/t10-,12-/m0/s1",C/C=C/C=C(\C)C(=O)N[C@@H](CO)[C@@H](C)CC,C13H23NO2,,225.172878976,ZOKXIFXOULCJPE,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Acremonium furcatum,871254.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Bionectriaceae'],['Unknown'],['Acremonium'],['Acremonium furcatum'],1,3,4.557977914810181
6016,2773,-1,,,,0.21720956,ISDB,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,0,6.868838250637054
6017,2773,-1,,,,0.21720956,ISDB,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,0,6.868838250637054
6018,2772,-1,,,,0.0,MS1_match,SYRURBPRFQUYQS-RHEJLWEFSA-N,"InChI=1S/C21H20O11/c22-7-14-16(26)18(28)19(29)21(32-14)31-12-4-2-9-15(25)13(30-20(9)17(12)27)6-8-1-3-10(23)11(24)5-8/h1-6,14,16,18-19,21-24,26-29H,7H2/b13-6-/t14-,16-,18+,19-,21-/m1/s1",O=C1/C(=C/c2ccc(O)c(O)c2)Oc2c1ccc(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2O,C21H20O11,pos_1_1proton,448.1005614599999,SYRURBPRFQUYQS,Shikimates and Phenylpropanoids,Flavonoids,Aurones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
6019,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,0,7.0
6020,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
6021,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium helenioides,111716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium helenioides'],7,0,7.0
6022,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium heterophyllum,850437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium heterophyllum'],7,0,7.0
6023,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lamyropsis cynaroides,916914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Lamyropsis'],['Lamyropsis cynaroides'],7,0,7.0
6024,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6025,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,0,7.0
6026,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,0,7.0
6027,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6028,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6029,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,0,7.0
6030,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-OBJCFNGXSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carduus nutans,597709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus nutans'],7,0,7.0
6031,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6032,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,0,7.0
6033,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6034,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,0,7.0
6035,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium palustre,13139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium palustre'],7,0,7.0
6036,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium wallichii,5739856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium wallichii'],7,0,7.0
6037,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6038,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,0,7.0
6039,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
6040,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
6041,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-OBJCFNGXSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
6042,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6043,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6044,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea nivea,370985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella nivea'],7,0,7.0
6045,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
6046,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,0,7.0
6047,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,0,7.0
6048,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
6049,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6050,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea inermis,3894049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea inermis'],7,0,7.0
6051,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
6052,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6053,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
6054,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,0,7.0
6055,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,0,7.0
6056,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
6057,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6058,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium wallichii,5739856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium wallichii'],7,0,7.0
6059,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
6060,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-OBJCFNGXSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
6061,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6062,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6063,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6064,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,0,7.0
6065,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
6066,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
6067,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,0,7.0
6068,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6069,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6070,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6071,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea nivea,370985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella nivea'],7,0,7.0
6072,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
6073,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,0,7.0
6074,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,0,7.0
6075,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
6076,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
6077,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,0,7.0
6078,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,7.0
6079,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea virgata,856234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea virgata'],7,0,7.0
6080,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,0,7.0
6081,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,0,7.0
6082,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
6083,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6084,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum centauroides,3894233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea centauroides'],7,0,7.0
6085,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Leuzea centauroides,5537493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea centauroides'],7,0,7.0
6086,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
6087,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
6088,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
6089,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea corcubionensis,7052212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea corcubionensis'],7,0,7.0
6090,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-DTGCRPNFSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,0,7.0
6091,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea virgata,856234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea virgata'],7,0,7.0
6092,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea inermis,3894049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea inermis'],7,0,7.0
6093,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
6094,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6095,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6096,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
6097,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea nivea,370985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella nivea'],7,0,7.0
6098,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
6099,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6100,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
6101,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum centauroides,3894233.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea centauroides'],7,0,7.0
6102,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Leuzea centauroides,5537493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea centauroides'],7,0,7.0
6103,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
6104,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,0,7.0
6105,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,0,7.0
6106,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
6107,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,0,7.0
6108,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-LDWSSRBJSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18-,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.10056146,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
6109,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
6110,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6111,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3",CC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6112,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,0,7.0
6113,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium palustre,13139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium palustre'],7,0,7.0
6114,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
6115,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,0,7.0
6116,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6117,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6118,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea virgata,856234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea virgata'],7,0,7.0
6119,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea inermis,3894049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea inermis'],7,0,7.0
6120,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
6121,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
6122,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,0,7.0
6123,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,7.0
6124,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6125,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
6126,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea bornmuelleri,7612889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bornmuelleri'],7,0,7.0
6127,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus bornmuelleri,3894411.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bornmuelleri'],7,0,7.0
6128,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,0,7.0
6129,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,0,7.0
6130,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6131,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
6132,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6133,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium helenioides,111716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium helenioides'],7,0,7.0
6134,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium heterophyllum,850437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium heterophyllum'],7,0,7.0
6135,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea mongolica,7612482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea mongolica'],7,0,7.0
6136,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lamyropsis cynaroides,916914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Lamyropsis'],['Lamyropsis cynaroides'],7,0,7.0
6137,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6138,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6139,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus schischkinii,3894389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus schischkinii'],7,0,7.0
6140,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-OBJCFNGXSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carduus acanthoides,286405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus acanthoides'],7,0,7.0
6141,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-OBJCFNGXSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carduus nutans,597709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus nutans'],7,0,7.0
6142,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6143,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6144,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,0,7.0
6145,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,0,7.0
6146,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,0,7.0
6147,2772,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-OBJCFNGXSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18+,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carduus acanthoides,286405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus acanthoides'],7,0,7.0
6148,2772,-1,,,,0.0,MS1_match,OXGUCUVFOIWWQJ-HQBVPOQASA-N,"InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O11,pos_1_1proton,448.1005614599998,OXGUCUVFOIWWQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,0,7.0
6149,2772,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1proton,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
6150,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-RQXATKFSSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea regia,3894124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea regia'],7,0,7.0
6151,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,0,7.0
6152,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6153,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6154,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
6155,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,0,7.0
6156,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea hieracioides,40090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea hieracioides'],7,0,7.0
6157,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2",O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6158,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2",O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea melitensis,539759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea melitensis'],7,0,7.0
6159,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2",O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,0,7.0
6160,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lamyropsis cynaroides,916914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Lamyropsis'],['Lamyropsis cynaroides'],7,0,7.0
6161,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],7,0,7.0
6162,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina macrocephala,534446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina macrocephala'],7,0,7.0
6163,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chamaeleon gummifer,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6164,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina corymbosa,82139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina corymbosa'],7,0,7.0
6165,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-JBINPLMMSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21+/m0/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium heterophyllum,850437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium heterophyllum'],7,0,7.0
6166,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-JBINPLMMSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21+/m0/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium helenioides,111716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium helenioides'],7,0,7.0
6167,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-LELZANKISA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19-,20+,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6168,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,0,7.0
6169,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
6170,2772,-1,,,,0.0,MS1_match,KVPJGPIXMGFGFH-OWQBGRFZSA-N,"InChI=1S/C21H20O11/c22-7-14-16(26)17(27)19(29)21(32-14)31-13-6-12-10(5-11(13)24)15(25)18(28)20(30-12)8-1-3-9(23)4-2-8/h1-6,14,16-17,19,21-24,26-29H,7H2/t14-,16-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc12,C21H20O11,pos_1_1proton,448.10056146,KVPJGPIXMGFGFH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
6171,2772,-1,,,,0.0,MS1_match,KVPJGPIXMGFGFH-OWQBGRFZSA-N,"InChI=1S/C21H20O11/c22-7-14-16(26)17(27)19(29)21(32-14)31-13-6-12-10(5-11(13)24)15(25)18(28)20(30-12)8-1-3-9(23)4-2-8/h1-6,14,16-17,19,21-24,26-29H,7H2/t14-,16-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc12,C21H20O11,pos_1_1proton,448.10056146,KVPJGPIXMGFGFH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
6172,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-RQXATKFSSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.1005614599998,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea regia,3894124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea regia'],7,0,7.0
6173,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-JBINPLMMSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21+/m0/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium heterophyllum,850437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium heterophyllum'],7,0,7.0
6174,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina gummifera,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6175,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-JBINPLMMSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21+/m0/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cirsium helenioides,111716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium helenioides'],7,0,7.0
6176,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chamaeleon gummifer,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6177,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina corymbosa,82139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina corymbosa'],7,0,7.0
6178,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina macrocephala,534446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina macrocephala'],7,0,7.0
6179,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina corymbosa,82139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina corymbosa'],7,0,7.0
6180,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
6181,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6182,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
6183,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea hieracioides,40090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea hieracioides'],7,0,7.0
6184,2772,-1,,,,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],7,0,7.0
6185,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chamaeleon gummifer,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6186,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina gummifera,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6187,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,0,7.0
6188,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea horrida,5232410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea horrida'],7,0,7.0
6189,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,0,7.0
6190,2772,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H21O11+,pos_1_1proton,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
6191,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2",O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6192,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,0,7.0
6193,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2",O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea melitensis,539759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea melitensis'],7,0,7.0
6194,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2",O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea gigantea,3894085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gigantea'],7,0,7.0
6195,2772,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1proton,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rhaponticum pulchrum,385650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum pulchrum'],7,0,7.0
6196,2772,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-GQUPQBGVSA-N,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/t16-,17-,18+,19-,21-/m1/s1",[O-]c1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C21H20O11,pos_1_1proton,448.10056146,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Rhaponticum lyratum,1012809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum lyratum'],7,0,7.0
6197,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lamyropsis cynaroides,916914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Lamyropsis'],['Lamyropsis cynaroides'],7,0,7.0
6198,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
6199,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina macrocephala,534446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina macrocephala'],7,0,7.0
6200,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chamaeleon gummifer,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6201,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina gummifera,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6202,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina corymbosa,82139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina corymbosa'],7,0,7.0
6203,2772,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina macrocephala,534446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina macrocephala'],7,0,7.0
6204,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
6205,2772,-1,,,,0.0,MS1_match,PLAPMLGJVGLZOV-VPRICQMDSA-N,"InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PLAPMLGJVGLZOV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Carlina gummifera,534453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carlina'],['Carlina gummifera'],7,0,7.0
6206,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,0,7.0
6207,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,0,7.0
6208,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-LELZANKISA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19-,20+,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6209,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6210,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,0,7.0
6211,2772,-1,,,,0.0,MS1_match,UHNXUSWGOJMEFO-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
6212,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
6213,2772,-1,,,,0.0,MS1_match,BDCRTIDKZGEVEN-CGXGPNJMSA-N,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13-,16-,17-,18+,19-,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H20O11,pos_1_1proton,448.10056145999977,BDCRTIDKZGEVEN,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,0,7.0
6214,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-UHFFFAOYSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
6215,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
6216,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
6217,2772,-1,,,,0.0,MS1_match,BDCRTIDKZGEVEN-CGXGPNJMSA-N,"InChI=1S/C21H20O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-6,13,16-19,21-23,25-27H,7H2,(H,28,29)/t13-,16-,17-,18+,19-,21+/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21,C21H20O11,pos_1_1proton,448.10056145999977,BDCRTIDKZGEVEN,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,0,7.0
6218,2772,-1,,,,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus gypsicola,389994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus gypsicola'],7,0,7.0
6219,2772,-1,,,,0.0,MS1_match,YPWHZCPMOQGCDQ-HMGRVEAOSA-N,"InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056146,YPWHZCPMOQGCDQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,0,7.0
6220,2771,-1,,,,0.5235774,ISDB,VHVLBZCVJBGAGR-UHFFFAOYSA-N,"InChI=1S/C9H12O/c10-9-6-2-4-7-3-1-5-8(7)9/h5,7H,1-4,6H2",O=C1CCCC2CCC=C12,C9H12O,,136.088815004,VHVLBZCVJBGAGR,,,,Nepeta nepetella,482710.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta nepetella'],1,0,3.0943095684051514
6221,2770,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_2_2proton1ammonium,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6222,2770,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_2_2proton1ammonium,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6223,2770,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_2_2proton1ammonium,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6224,2770,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,QCTMYNGDIBTNSK-AQZQQWEISA-N,"InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H73NO16,pos_2_2proton1ammonium,883.4929352560001,QCTMYNGDIBTNSK,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6225,2770,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,JLFJEGBBEGUZBB-LWJJUYNASA-N,"InChI=1S/C45H73NO16/c1-18-12-27(49)31-19(2)30-26(46(31)15-18)14-25-23-7-6-21-13-22(8-10-44(21,4)24(23)9-11-45(25,30)5)58-43-40(62-41-37(55)35(53)32(50)20(3)57-41)39(34(52)29(17-48)60-43)61-42-38(56)36(54)33(51)28(16-47)59-42/h6,18-20,22-43,47-56H,7-17H2,1-5H3/t18-,19-,20+,22+,23-,24-,25+,26+,27+,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44+,45-/m0/s1",C[C@H]1C[C@@H](O)[C@@H]2[C@@H](C)[C@@H]3[C@@H](C[C@@H]4[C@H]5CC=C6C[C@H](O[C@H]7O[C@@H](CO)[C@H](O)[C@@H](O[C@H]8O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]8O)[C@H]7O[C@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)CC[C@@]6(C)[C@H]5CC[C@]34C)N2C1,C45H73NO16,pos_2_2proton1ammonium,883.492935256,JLFJEGBBEGUZBB,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6226,2769,403,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,0.0,MS1_match,XXWIUGNNANJILR-SNVBAGLBSA-N,"InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,10,12H/t10-/m1/s1",O=C1C=C(c2ccccc2)[C@H](O)O1,C10H8O3,pos_1_1proton,176.047344116,XXWIUGNNANJILR,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],6,3,7.5
6227,2767,-1,,,,0.36436918,ISDB,BRBJHQRWXQRMLL-PQGOTGDCSA-N,"InChI=1S/C20H34O3/c1-13(7-10-21)16(22)11-15-14(2)17(23)12-18-19(3,4)8-6-9-20(15,18)5/h7,15-18,21-23H,2,6,8-12H2,1,3-5H3/b13-7+/t15-,16+,17+,18-,20+/m0/s1",C=C1[C@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H](O)/C(C)=C/CO,C20H34O3,,322.250794948,BRBJHQRWXQRMLL,Terpenoids,Diterpenoids,Labdane diterpenoids,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,0,7.457476735115051
6228,2766,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.21749014,ISDB,MZUPRMHPNSKUQZ-ZIAGYGMSSA-N,"InChI=1S/C17H18O8/c1-23-13-5-9(19)6-14(24-2)17(13,22)15-7-11(21)16-10(20)3-8(18)4-12(16)25-15/h3-4,7,13-14,18,20,22H,5-6H2,1-2H3/t13-,14-/m1/s1",CO[C@@H]1CC(=O)C[C@@H](OC)C1(O)c1cc(=O)c2c(O)cc(O)cc2o1,C17H18O8,,350.1001675359999,MZUPRMHPNSKUQZ,Polyketides,,,Macrothelypteris torresiana,971932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Thelypteridaceae'],['Unknown'],['Macrothelypteris'],['Macrothelypteris torresiana'],3,0,3.8699605464935303
6229,2765,-1,,,,0.30512312,ISDB,KJSAXQYTHNRIBJ-YRGRVCCFSA-N,"InChI=1S/C14H20O2/c1-10(13(15)16)11-6-8-14(2)7-4-3-5-12(14)9-11/h3,5,11-12H,1,4,6-9H2,2H3,(H,15,16)/t11-,12-,14-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CCC=C[C@@H]2C1,C14H20O2,,220.14632988,KJSAXQYTHNRIBJ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dittrichia graveolens,3899100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Dittrichia'],['Dittrichia graveolens'],6,0,7.220492482185364
6230,2760,-1,,,,0.0,MS1_match,KPWVOGVVWHEBEG-UHFFFAOYSA-N,"InChI=1S/C10H23NO2S/c1-14(12,13)10-8-6-4-2-3-5-7-9-11/h2-11H2,1H3",CS(=O)(=O)CCCCCCCCCN,C10H23NO2S,pos_1_1proton1acetonitrile,221.144949976,KPWVOGVVWHEBEG,,,,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],6,0,6.0
6231,2760,-1,,,,0.0,MS1_match,AUWQPTCUIRSWGE-UHFFFAOYSA-N,"InChI=1S/C12H26N2O2S/c1-11(2)14-12(15)13-9-7-5-4-6-8-10-17(3)16/h11H,4-10H2,1-3H3,(H2,13,14,15)",CC(C)NC(=O)NCCCCCCC[S+](C)[O-],C12H26N2O2S,pos_1_1proton,262.171499072,AUWQPTCUIRSWGE,Alkaloids,,,Diptychocarpus strictus,456138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Chorisporeae'],['Diptychocarpus'],['Diptychocarpus strictus'],6,0,6.0
6232,2758,-1,,,,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_2_2sodium,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
6233,2758,-1,,,,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_2_2sodium,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
6234,2757,-1,,,,0.44204625,ISDB,GHSFVCDUBWHKCG-GFCCVEGCSA-N,"InChI=1S/C14H16O5/c1-14(2,17)12(15)8-18-10-5-3-9-4-6-13(16)19-11(9)7-10/h3-7,12,15,17H,8H2,1-2H3/t12-/m1/s1",CC(C)(O)[C@H](O)COc1ccc2ccc(=O)oc2c1,C14H16O5,,264.09977361200004,GHSFVCDUBWHKCG,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Coleonema album,5922804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Coleonema'],['Coleonema album'],4,0,5.768185019493103
6235,2755,18,Alkaloids,Ornithine alkaloids,Polyamines,0.49219337,ISDB,KTZNZCYTXQYEHT-UHFFFAOYSA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)",NCCCCNC(=O)C=Cc1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.4687734842300415
6236,2755,18,Alkaloids,Ornithine alkaloids,Polyamines,0.49219337,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Iochroma cyaneum,974496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma cyaneum'],4,3,7.4687734842300415
6237,2755,18,Alkaloids,Ornithine alkaloids,Polyamines,0.49219337,ISDB,KTZNZCYTXQYEHT-GQCTYLIASA-N,"InChI=1S/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)/b6-4+",NCCCCNC(=O)/C=C/c1ccc(O)c(O)c1,C13H18N2O3,,250.131742436,KTZNZCYTXQYEHT,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.4687734842300415
6238,2751,-1,,,,0.0,MS1_match,LAFGOWWTPVOXRA-GOSISDBHSA-N,"InChI=1S/C18H16O10/c1-3-26-10(20)6-8-12-11-7(15(22)18(12,25)17(24)27-4-2)5-9(19)13(21)14(11)28-16(8)23/h5,19,21,25H,3-4,6H2,1-2H3/t18-/m1/s1",CCOC(=O)Cc1c2c3c(cc(O)c(O)c3oc1=O)C(=O)[C@@]2(O)C(=O)OCC,C18H16O10,pos_2_2sodium,392.074346712,LAFGOWWTPVOXRA,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
6239,2750,-1,,,,0.0,MS1_match,OJIJRLSRFSISSF-YUKCJYJJSA-N,"InChI=1S/C16H28O7/c1-9-3-4-16(2,6-10(18)5-9)8-22-15-14(21)13(20)12(19)11(7-17)23-15/h9,11-15,17,19-21H,3-8H2,1-2H3/t9-,11-,12-,13+,14-,15-,16-/m1/s1",C[C@@H]1CC[C@@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)C1,C16H28O7,pos_1_1proton1ethylamine,332.183503236,OJIJRLSRFSISSF,Terpenoids,Monoterpenoids,,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],8,0,8.0
6240,2750,-1,,,,0.0,MS1_match,OJIJRLSRFSISSF-YUKCJYJJSA-N,"InChI=1S/C16H28O7/c1-9-3-4-16(2,6-10(18)5-9)8-22-15-14(21)13(20)12(19)11(7-17)23-15/h9,11-15,17,19-21H,3-8H2,1-2H3/t9-,11-,12-,13+,14-,15-,16-/m1/s1",C[C@@H]1CC[C@@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)C1,C16H28O7,pos_1_1proton1ethylamine,332.183503236,OJIJRLSRFSISSF,Terpenoids,Monoterpenoids,,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],8,0,8.0
6241,2749,1091,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MMDUKUSNQNWVET-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,MMDUKUSNQNWVET,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6242,2749,1091,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MMDUKUSNQNWVET-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,MMDUKUSNQNWVET,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6243,2749,1091,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OVMFOVNOXASTPA-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,OVMFOVNOXASTPA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6244,2749,1091,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OVMFOVNOXASTPA-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,OVMFOVNOXASTPA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6245,2749,1091,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,MMDUKUSNQNWVET-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,MMDUKUSNQNWVET,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6246,2749,1091,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,OVMFOVNOXASTPA-VYUBKLCTSA-N,"InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O14,pos_1_1proton,564.147905576,OVMFOVNOXASTPA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6247,2745,-1,,,,0.0,MS1_match,PMBZSEOAOIYRMW-FYPHCDFOSA-N,"InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2,C15H19NO9,pos_1_1potassium,357.105981188,PMBZSEOAOIYRMW,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
6248,2745,-1,,,,0.0,MS1_match,GURCLRPJAALUEO-GDLBMNFOSA-N,"InChI=1S/C15H19NO9/c17-4-7-10(18)11(19)12(20)15(25-7)24-6-3-1-2-5-8(14(22)23)13(21)16-9(5)6/h1-3,5,7-12,15,17-20H,4H2,(H,16,21)(H,22,23)/t5-,7+,8-,9+,10+,11-,12+,15+/m0/s1",O=C(O)[C@@H]1C(=O)N[C@H]2C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=C[C@@H]12,C15H19NO9,pos_1_1potassium,357.105981188,GURCLRPJAALUEO,Amino acids and Peptides,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
6249,2743,210,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,RIJBKIQUODTRPB-WWBAUYALSA-N,"InChI=1S/C48H74O20/c1-19-9-14-48(68-42(19)59)20(2)32-28(67-48)16-27-25-8-7-23-15-24(10-12-46(23,5)26(25)11-13-47(27,32)6)62-45-41(66-44-37(57)35(55)39(22(4)61-44)64-31(52)17-30(50)51)38(58)40(29(18-49)63-45)65-43-36(56)34(54)33(53)21(3)60-43/h7,19-22,24-29,32-45,49,53-59H,8-18H2,1-6H3,(H,50,51)/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,32+,33+,34-,35-,36-,37-,38+,39+,40-,41-,42-,43+,44+,45-,46+,47+,48+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](OC(=O)CC(=O)O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C48H74O20,pos_1_1proton1isopropanol,970.477344768,RIJBKIQUODTRPB,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5
6250,2743,210,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,pos_1_1proton,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum linnaeanum,14220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum linnaeanum'],8,3,9.5
6251,2743,210,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,pos_1_1proton,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5
6252,2743,210,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,pos_1_1proton,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,3,9.5
6253,2743,210,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,VCECIHZIKPKTCU-UHFFFAOYSA-N,"InChI=1S/C51H82O21/c1-20-10-15-51(72-44(20)62-7)21(2)32-30(71-51)17-28-26-9-8-24-16-25(11-13-49(24,5)27(26)12-14-50(28,32)6)66-48-43(70-46-39(60)36(57)33(54)22(3)64-46)40(61)41(31(18-52)67-48)68-47-42(37(58)34(55)23(4)65-47)69-45-38(59)35(56)29(53)19-63-45/h8,20-23,25-48,52-61H,9-19H2,1-7H3",COC1OC2(CCC1C)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C51H82O21,pos_1_1proton,1030.534859644,VCECIHZIKPKTCU,Terpenoids,Steroids,Spirostane steroids,Solanum sodomeum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,3,9.5
6254,2737,-1,,,,0.29524806,ISDB,NEHDRDVHPTWWFG-UHFFFAOYSA-N,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,,370.308309824,NEHDRDVHPTWWFG,Fatty acids,Fatty esters,Wax monoesters,Launaea resedifolia,7621166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Launaea'],['Launaea resedifolia'],0,0,1.1809922456741333
6255,2737,-1,,,,0.29524806,ISDB,NEHDRDVHPTWWFG-UHFFFAOYSA-N,"InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3",CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,C22H42O4,,370.308309824,NEHDRDVHPTWWFG,Fatty acids,Fatty esters,Wax monoesters,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,1.1809922456741333
6256,2733,368,Alkaloids,,,0.0,MS1_match,ZERMYLJEHPYWJD-CYBMUJFWSA-N,"InChI=1S/C15H20N4O3/c1-22-12-6-4-10(9-11(12)20)5-7-14(21)18-13-3-2-8-19(13)15(16)17/h4-7,9,13,20H,2-3,8H2,1H3,(H3,16,17)(H,18,21)/t13-/m1/s1",COc1ccc(C=CC(=O)N[C@H]2CCCN2C(=N)N)cc1O,C15H20N4O3,pos_1_1proton1methanol,304.1535405,ZERMYLJEHPYWJD,Alkaloids,,,Solanum cernuum,915428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum cernuum'],8,1,8.5
6257,2730,-1,,,,0.59079206,ISDB,DAUPWJBRVZCBQB-AWEZNQCLSA-N,"InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(O)c1)N(C)CC2,C18H21NO4,,315.147058152,DAUPWJBRVZCBQB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,0,8.363168239593506
6258,2730,-1,,,,0.59079206,ISDB,DAUPWJBRVZCBQB-AWEZNQCLSA-N,"InChI=1S/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3/t14-/m0/s1",COc1cc2c(cc1O)[C@H](Cc1ccc(O)c(O)c1)N(C)CC2,C18H21NO4,,315.147058152,DAUPWJBRVZCBQB,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Romneya coulteri,565714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Romneya'],['Romneya coulteri'],6,0,8.363168239593506
6259,2729,1414,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CDGHLDFEVNYLLG-WLKYDQPYSA-N,"InChI=1S/C41H56O25/c1-57-22-11-16(3-6-19(22)45)4-7-26(48)64-35-25(15-60-38-33(55)30(52)28(50)23(12-42)61-38)63-41(58-9-8-17-2-5-18(44)20(46)10-17)37(66-39-32(54)27(49)21(47)14-59-39)36(35)65-40-34(56)31(53)29(51)24(13-43)62-40/h2-7,10-11,21,23-25,27-47,49-56H,8-9,12-15H2,1H3/b7-4+/t21-,23-,24-,25-,27-,28-,29-,30+,31+,32+,33-,34-,35-,36+,37-,38-,39-,40+,41-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O,C41H56O25,pos_1_1proton1ethylamine,948.311067292,CDGHLDFEVNYLLG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
6260,2728,165,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
6261,2728,165,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1potassium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
6262,2726,1119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NBHIDBXUVKQYCJ-HHHCMTHRSA-N,"InChI=1S/C36H48O20/c1-15-25(43)27(45)29(47)34(51-15)55-32-31(54-24(42)8-5-16-4-7-19(40)21(12-16)49-2)23(14-38)53-36(50-10-9-17-3-6-18(39)20(41)11-17)33(32)56-35-30(48)28(46)26(44)22(13-37)52-35/h3-8,11-12,15,22-23,25-41,43-48H,9-10,13-14H2,1-2H3/b8-5+/t15-,22+,23+,25-,26+,27+,28-,29+,30+,31+,32-,33+,34-,35-,36+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O,C36H48O20,pos_1_1proton1ammonium,800.273893936,NBHIDBXUVKQYCJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica pectinata,91029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pectinata'],8,3,9.5
6263,2726,1119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KMDNQBCHLSFQAU-GKFWIKKUSA-N,"InChI=1S/C36H48O20/c1-48-21-7-4-17(11-19(21)39)9-10-50-36-33(56-34-30(46)26(42)20(40)14-52-34)32(55-35-31(47)29(45)27(43)23(13-37)53-35)28(44)24(54-36)15-51-25(41)8-5-16-3-6-18(38)22(12-16)49-2/h3-8,11-12,20,23-24,26-40,42-47H,9-10,13-15H2,1-2H3/b8-5+/t20-,23+,24+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35-,36+/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1O,C36H48O20,pos_1_1proton1ammonium,800.273893936,KMDNQBCHLSFQAU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica undulata,100151.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica undulata'],8,3,9.5
6264,2726,1119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KMDNQBCHLSFQAU-JPUOZXLASA-N,"InChI=1S/C36H48O20/c1-48-21-7-4-17(11-19(21)39)9-10-50-36-33(56-34-30(46)26(42)20(40)14-52-34)32(55-35-31(47)29(45)27(43)23(13-37)53-35)28(44)24(54-36)15-51-25(41)8-5-16-3-6-18(38)22(12-16)49-2/h3-8,11-12,20,23-24,26-40,42-47H,9-10,13-15H2,1-2H3/b8-5+/t20-,23-,24-,26-,27-,28-,29+,30+,31-,32+,33-,34-,35+,36-/m1/s1",COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1O,C36H48O20,pos_1_1proton1ammonium,800.273893936,KMDNQBCHLSFQAU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
6265,2726,1119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGFDCNLHAISICV-YGEIKWFRSA-N,"InChI=1S/C34H44O20/c35-11-21-25(43)27(45)29(47)33(51-21)53-30-26(44)22(13-49-23(41)6-3-14-1-4-16(36)18(38)9-14)52-34(48-8-7-15-2-5-17(37)19(39)10-15)31(30)54-32-28(46)24(42)20(40)12-50-32/h1-6,9-10,20-22,24-40,42-47H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C34H44O20,pos_1_1proton1ethylamine,772.242593808,NGFDCNLHAISICV,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
6266,2726,1119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KXPJSAHXIDCYOG-WUMDCVPMSA-N,"InChI=1S/C34H44O20/c35-11-21-25(44)26(45)28(47)33(50-21)53-30-29(52-23(42)6-3-14-1-4-16(37)18(39)9-14)22(12-36)51-34(48-8-7-15-2-5-17(38)19(40)10-15)31(30)54-32-27(46)24(43)20(41)13-49-32/h1-6,9-10,20-22,24-41,43-47H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26+,27+,28-,29-,30+,31-,32-,33+,34-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO,C34H44O20,pos_1_1proton1ethylamine,772.242593808,KXPJSAHXIDCYOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
6267,2726,1119,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YWRJHQARRGBUJB-LJHYTHBCSA-N,"InChI=1S/C36H48O20/c1-48-21-7-4-17(11-19(21)40)9-10-50-36-33(56-34-29(46)26(43)20(41)15-51-34)32(55-35-30(47)28(45)27(44)23(13-37)52-35)31(24(14-38)53-36)54-25(42)8-5-16-3-6-18(39)22(12-16)49-2/h3-8,11-12,20,23-24,26-41,43-47H,9-10,13-15H2,1-2H3/b8-5+/t20-,23-,24-,26-,27-,28+,29+,30-,31-,32+,33-,34-,35+,36-/m1/s1",COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1O,C36H48O20,pos_1_1proton1ammonium,800.273893936,YWRJHQARRGBUJB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
6268,2722,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.24173988,ISDB,ZSISCNCQVRABBK-JOCBIADPSA-N,"InChI=1S/C18H26O3/c1-17-9-4-10-18(2,16(20)21-3)15(17)8-5-12-11-13(19)6-7-14(12)17/h11,14-15H,4-10H2,1-3H3/t14-,15-,17-,18-/m1/s1",COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=O)C=C3CC[C@H]21,C18H26O3,,290.188194692,ZSISCNCQVRABBK,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Agathis macrophylla,1020069.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Araucariales'],['Araucariaceae'],['Unknown'],['Agathis'],['Agathis macrophylla'],1,3,3.466959536075592
6269,2721,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6270,2719,-1,,,,0.0,MS1_match,WYACBZDAHNBPPB-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3",CCOC(=O)C(=O)OCC,C6H10O4,pos_2MHNH3,146.0579088,WYACBZDAHNBPPB,Fatty acids,Fatty esters,Wax monoesters,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
6271,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Onopordum macrocanthum,6057219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum macrocanthum'],7,3,8.5
6272,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Carthamus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,3,8.5
6273,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,3,8.5
6274,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Onopordum macrocanthum,6057219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum macrocanthum'],7,3,8.5
6275,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-PLWLBJPKSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31?,32?,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.4233395759999,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Atractylis carduus,140467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylis'],['Atractylis carduus'],7,3,8.5
6276,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,3,8.5
6277,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-PLWLBJPKSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29?,30-,31?,32?,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)C5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.4233395759999,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Atractylis carduus,140467.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylis'],['Atractylis carduus'],7,3,8.5
6278,2718,650,Terpenoids,Steroids,Stigmastane steroids,0.0,MS1_match,VWDLOXMZIGUBKM-AUGXRQBFSA-N,"InChI=1S/C35H58O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H58O6,pos_2_2sodium,574.423339576,VWDLOXMZIGUBKM,Terpenoids,Steroids,Stigmastane steroids,Carthamus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,3,8.5
6279,2717,313,Carbohydrates,Saccharides,Disaccharides,0.30746016,ISDB,LRUBQXAKGXQBHA-UHFFFAOYSA-N,InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H,OC1C=CC(O)C(O)C1O,C6H10O4,,146.0579088,LRUBQXAKGXQBHA,Carbohydrates,Polyols,Cyclitols,Cynanchum bungei,368937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum bungei'],4,1,5.729840636253357
6280,2717,313,Carbohydrates,Saccharides,Disaccharides,0.30746016,ISDB,LRUBQXAKGXQBHA-GUCUJZIJSA-N,"InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5+,6-",O[C@@H]1[C@H](O)[C@@H](O)C=C[C@H]1O,C6H10O4,,146.0579088,LRUBQXAKGXQBHA,Carbohydrates,Polyols,Cyclitols,Gymnema sylvestre,809613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Gymnema'],['Gymnema sylvestre'],4,1,5.729840636253357
6281,2717,313,Carbohydrates,Saccharides,Disaccharides,0.30746016,ISDB,LRUBQXAKGXQBHA-FSIIMWSLSA-N,"InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m0/s1",O[C@@H]1[C@@H](O)[C@@H](O)C=C[C@H]1O,C6H10O4,,146.0579088,LRUBQXAKGXQBHA,Carbohydrates,Polyols,Cyclitols,Vincetoxicum tanakae,204104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum tanakae'],4,1,5.729840636253357
6282,2717,313,Carbohydrates,Saccharides,Disaccharides,0.30746016,ISDB,LRUBQXAKGXQBHA-JGWLITMVSA-N,"InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C=C[C@H]1O,C6H10O4,,146.0579088,LRUBQXAKGXQBHA,Carbohydrates,Polyols,Cyclitols,Marsdenia tomentosa,426835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Marsdenieae'],['Marsdenia'],['Marsdenia tomentosa'],4,1,5.729840636253357
6283,2717,313,Carbohydrates,Saccharides,Disaccharides,0.30746016,ISDB,LRUBQXAKGXQBHA-UHFFFAOYSA-N,InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H,OC1C=CC(O)C(O)C1O,C6H10O4,,146.0579088,LRUBQXAKGXQBHA,Carbohydrates,Polyols,Cyclitols,Asclepias curassavica,749456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Asclepias'],['Asclepias curassavica'],4,1,5.729840636253357
6284,2717,313,Carbohydrates,Saccharides,Disaccharides,0.30746016,ISDB,LRUBQXAKGXQBHA-JGWLITMVSA-N,"InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5-,6-/m1/s1",O[C@H]1[C@H](O)[C@@H](O)C=C[C@H]1O,C6H10O4,,146.0579088,LRUBQXAKGXQBHA,Carbohydrates,Polyols,Cyclitols,Cynanchum liukiuense,6065189.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum liukiuense'],4,1,5.729840636253357
6285,2717,313,Carbohydrates,Saccharides,Disaccharides,0.30746016,ISDB,LRUBQXAKGXQBHA-UHFFFAOYSA-N,InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H,OC1C=CC(O)C(O)C1O,C6H10O4,,146.0579088,LRUBQXAKGXQBHA,Carbohydrates,Polyols,Cyclitols,Leptadenia arborea,722385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Ceropegieae'],['Leptadenia'],['Leptadenia arborea'],4,1,5.729840636253357
6286,2715,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LYTHASQZLYCEJZ-WPMSVZFXSA-N,"InChI=1S/C16H30O8/c1-6-21-11-7-10(19-4)14(9(3)22-11)24-16-13(18)15(20-5)12(17)8(2)23-16/h8-18H,6-7H2,1-5H3/t8-,9-,10-,11-,12-,13-,14-,15+,16+/m1/s1",CCO[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](OC)[C@H]2O)[C@@H](C)O1,C16H30O8,pos_1_1proton1acetonitrile,350.19406791999995,LYTHASQZLYCEJZ,Carbohydrates,,,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
6287,2713,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GLXYTGGGIRZIQN-AWEZNQCLSA-N,"InChI=1S/C16H14O3S/c1-4-7-15-10-11-16(20-15)9-6-5-8-14(18-3)12-19-13(2)17/h10-11,14H,12H2,1-3H3/t14-/m0/s1",CC#Cc1ccc(C#CC#C[C@@H](COC(C)=O)OC)s1,C16H14O3S,pos_1_1proton,286.066365308,GLXYTGGGIRZIQN,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
6288,2713,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GLXYTGGGIRZIQN-AWEZNQCLSA-N,"InChI=1S/C16H14O3S/c1-4-7-15-10-11-16(20-15)9-6-5-8-14(18-3)12-19-13(2)17/h10-11,14H,12H2,1-3H3/t14-/m0/s1",CC#Cc1ccc(C#CC#C[C@@H](COC(C)=O)OC)s1,C16H14O3S,pos_1_1proton,286.066365308,GLXYTGGGIRZIQN,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
6289,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,3,9.5
6290,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,3,9.5
6291,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],8,3,9.5
6292,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,3,9.5
6293,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
6294,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,3,9.5
6295,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,3,9.5
6296,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,3,9.5
6297,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],8,3,9.5
6298,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia altotibetica,3912944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia altotibetica'],8,3,9.5
6299,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia dracunculoides,363138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia dracunculoides'],8,3,9.5
6300,2712,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia aleppica,3913040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia aleppica'],8,3,9.5
6301,2710,-1,,,,0.0,MS1_match,NBAYMEQYKNNXNT-BRGVXKLRSA-N,"InChI=1S/C36H48O21/c1-50-20-11-15(3-6-18(20)41)4-7-24(43)55-31-23(14-39)54-36(51-9-8-16-2-5-17(40)19(42)10-16)33(57-35-30(49)28(47)26(45)22(13-38)53-35)32(31)56-34-29(48)27(46)25(44)21(12-37)52-34/h2-7,10-11,21-23,25-42,44-49H,8-9,12-14H2,1H3/b7-4+/t21-,22-,23-,25-,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O,C36H48O21,pos_1_1proton1ammonium,816.268808556,NBAYMEQYKNNXNT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],7,0,7.0
6302,2710,-1,,,,0.0,MS1_match,NBAYMEQYKNNXNT-BRGVXKLRSA-N,"InChI=1S/C36H48O21/c1-50-20-11-15(3-6-18(20)41)4-7-24(43)55-31-23(14-39)54-36(51-9-8-16-2-5-17(40)19(42)10-16)33(57-35-30(49)28(47)26(45)22(13-38)53-35)32(31)56-34-29(48)27(46)25(44)21(12-37)52-34/h2-7,10-11,21-23,25-42,44-49H,8-9,12-14H2,1H3/b7-4+/t21-,22-,23-,25-,26-,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O,C36H48O21,pos_1_1proton1ammonium,816.268808556,NBAYMEQYKNNXNT,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,0,7.0
6303,2709,-1,,,,0.6309066,ISDB,UXMMIMGEKFYPFK-UHFFFAOYSA-N,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCC#CCCCCC(=O)O,C18H26O2,,274.193280072,UXMMIMGEKFYPFK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Dicranum scoparium,195712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Dicranales'],['Dicranaceae'],['Unknown'],['Dicranum'],['Dicranum scoparium'],1,0,3.5236263275146484
6304,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,1,8.5
6305,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,1,8.5
6306,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,1,8.5
6307,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,1,8.5
6308,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,1,8.5
6309,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,1,8.5
6310,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,1,8.5
6311,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,1,8.5
6312,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,1,8.5
6313,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,1,8.5
6314,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,1,8.5
6315,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,1,8.5
6316,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,1,8.5
6317,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,1,8.5
6318,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,1,8.5
6319,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,1,8.5
6320,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,1,8.5
6321,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,1,8.5
6322,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,1,8.5
6323,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,1,8.5
6324,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,1,8.5
6325,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,1,8.5
6326,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,1,8.5
6327,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,1,8.5
6328,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,1,8.5
6329,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,1,8.5
6330,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,1,8.5
6331,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,1,8.5
6332,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,1,8.5
6333,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,1,8.5
6334,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,1,8.5
6335,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,1,8.5
6336,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,1,8.5
6337,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,1,8.5
6338,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,1,8.5
6339,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,1,8.5
6340,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1acetonitrile,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,1,8.5
6341,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,1,8.5
6342,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,1,8.5
6343,2707,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1acetonitrile,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,1,8.5
6344,2706,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BKAJNAXTPSGJCU-UHFFFAOYSA-N,"InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)",CC(C)CC(=O)C(=O)O,C6H10O3,pos_2MHCH3CN,130.06299418,BKAJNAXTPSGJCU,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
6345,2705,167,Terpenoids,Sesquiterpenoids,Polyamines,0.3920099,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,3,7.068039655685425
6346,2705,167,Terpenoids,Sesquiterpenoids,Polyamines,0.3920099,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.068039655685425
6347,2705,167,Terpenoids,Sesquiterpenoids,Polyamines,0.3920099,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.068039655685425
6348,2703,1307,Terpenoids,Diterpenoids,Beyerane diterpenoids,0.60615516,ISDB,OLOWABBXFXWQKP-WBSYEDSCSA-N,"InChI=1S/C15H20O3/c1-8-3-4-11-12(8)13-10(9(2)14(16)18-13)5-6-15(11)7-17-15/h9-13H,1,3-7H2,2H3/t9-,10-,11+,12-,13-,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]21CO1,C15H20O3,,248.1412445,OLOWABBXFXWQKP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,1,9.924620628356934
6349,2702,-1,,,,0.0,MS1_match,SXYZSPUAXKAFMK-KVBUJQIHSA-N,"InChI=1S/C22H38O13/c1-10(6-7-32-21-18(29)16(27)14(25)12(8-23)33-21)4-3-5-11(2)20(31)35-22-19(30)17(28)15(26)13(9-24)34-22/h5,10,12-19,21-30H,3-4,6-9H2,1-2H3/b11-5+/t10-,12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1",C/C(=C\CC[C@@H](C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H38O13,pos_1_1sodium,510.231241276,SXYZSPUAXKAFMK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
6350,2701,-1,,,,0.6366547,ISDB,JOYNNZYGFVXVEZ-UHFFFAOYSA-N,"InChI=1S/C12H11NO4/c1-14-7-3-4-8-9(5-7)13-12-11(10(8)15-2)16-6-17-12/h3-5H,6H2,1-2H3",COc1ccc2c(OC)c3c(nc2c1)OCO3,C12H11NO4,,233.068807832,JOYNNZYGFVXVEZ,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Acronychia pedunculata,891870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Acronychia'],['Acronychia pedunculata'],4,0,6.546618700027466
6351,2700,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ZNNSGMPQXHGTSB-IJJCKAOHSA-N,"InChI=1S/C13H20O9/c1-19-12(7-3-2-6(4-14)20-7)22-13-11(18)10(17)9(16)8(5-15)21-13/h2-3,8-18H,4-5H2,1H3/t8-,9-,10+,11-,12?,13+/m1/s1",COC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(CO)o1,C13H20O9,pos_1_1proton1ethylamine,320.11073222,ZNNSGMPQXHGTSB,Polyketides,Cyclic polyketides,Furans,Cirsium chlorolepis,6057148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium chlorolepis'],7,0,7.0
6352,2697,396,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,GQHVPVLVTMOBIA-QDRSWXRKSA-N,"InChI=1S/C30H44O11/c1-9-10-20(34)41-25-22-23(40-17(5)33)14(2)12-30(22,37)26(35)28(8,36)24-21-18(27(21,6)7)11-19(39-16(4)32)29(24,25)13-38-15(3)31/h14,18-19,21-25,36-37H,9-13H2,1-8H3/t14-,18-,19+,21-,22+,23-,24-,25+,28-,29+,30+/m1/s1",CCCC(=O)O[C@H]1[C@@H]2[C@H](OC(C)=O)[C@H](C)C[C@@]2(O)C(=O)[C@](C)(O)[C@H]2[C@H]3[C@@H](C[C@H](OC(C)=O)[C@]12COC(C)=O)C3(C)C,C30H44O11,pos_2MCa,580.288362228,GQHVPVLVTMOBIA,Terpenoids,Diterpenoids,Premyrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],8,0,8.0
6353,2697,396,Alkaloids,Ornithine alkaloids,Polyamines,0.0,MS1_match,GQHVPVLVTMOBIA-QDRSWXRKSA-N,"InChI=1S/C30H44O11/c1-9-10-20(34)41-25-22-23(40-17(5)33)14(2)12-30(22,37)26(35)28(8,36)24-21-18(27(21,6)7)11-19(39-16(4)32)29(24,25)13-38-15(3)31/h14,18-19,21-25,36-37H,9-13H2,1-8H3/t14-,18-,19+,21-,22+,23-,24-,25+,28-,29+,30+/m1/s1",CCCC(=O)O[C@H]1[C@@H]2[C@H](OC(C)=O)[C@H](C)C[C@@]2(O)C(=O)[C@](C)(O)[C@H]2[C@H]3[C@@H](C[C@H](OC(C)=O)[C@]12COC(C)=O)C3(C)C,C30H44O11,pos_2MCa,580.288362228,GQHVPVLVTMOBIA,Terpenoids,Diterpenoids,Premyrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],8,0,8.0
6354,2695,-1,,,,0.0,MS1_match,OCSRFYYLDUASCY-WVTGFULCSA-N,"InChI=1S/C35H46O20/c1-48-21-11-15(3-6-18(21)38)4-7-24(41)50-14-23-27(44)31(54-34-30(47)28(45)26(43)22(12-36)52-34)32(55-33-29(46)25(42)20(40)13-51-33)35(53-23)49-9-8-16-2-5-17(37)19(39)10-16/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)ccc1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,OCSRFYYLDUASCY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
6355,2695,-1,,,,0.0,MS1_match,BKESKOXPMZUPRR-MSUWPPSTSA-N,"InChI=1S/C35H46O20/c1-14-31(55-35-28(46)25(43)24(42)21(12-36)52-35)26(44)29(47)34(51-14)50-13-22-32(54-23(41)7-4-15-2-5-17(37)19(39)10-15)27(45)30(48)33(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.2582438720001,BKESKOXPMZUPRR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
6356,2695,-1,,,,0.0,MS1_match,NATCYWOQXLKDNI-WVTGFULCSA-N,"InChI=1S/C35H46O20/c1-48-21-6-3-16(11-19(21)39)8-9-49-35-32(55-33-29(46)25(42)20(40)13-51-33)31(54-34-30(47)28(45)26(43)22(12-36)52-34)27(44)23(53-35)14-50-24(41)7-4-15-2-5-17(37)18(38)10-15/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m1/s1",COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,NATCYWOQXLKDNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
6357,2695,-1,,,,0.0,MS1_match,FDUMKOUWARULGH-DLJARKJQSA-N,"InChI=1S/C35H46O20/c1-48-21-11-15(3-6-18(21)39)4-7-24(42)53-30-23(13-37)52-35(49-9-8-16-2-5-17(38)19(40)10-16)32(55-33-28(46)25(43)20(41)14-50-33)31(30)54-34-29(47)27(45)26(44)22(12-36)51-34/h2-7,10-11,20,22-23,25-41,43-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,FDUMKOUWARULGH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
6358,2695,-1,,,,0.0,MS1_match,LKZNLGSMAMRYPE-WHZLBBPDSA-N,"InChI=1S/C35H46O20/c1-14-24(43)26(45)28(47)33(50-14)54-31-30(53-23(42)7-4-15-2-5-17(38)19(40)10-15)22(13-37)52-35(49-9-8-16-3-6-18(39)20(41)11-16)32(31)55-34-29(48)27(46)25(44)21(12-36)51-34/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_1_1proton1ammonium,786.258243872,LKZNLGSMAMRYPE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica pectinata,91029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pectinata'],8,0,8.0
6359,2693,246,Terpenoids,Saccharides,Disaccharides,0.33647016,ISDB,JPLATTLXZFUKRQ-UVMZSPEXSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6+,7-,8-,9+,10+,11-,12-/m0/s1",O=C[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Chondrus ocellatus,372375.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Chondrus'],['Chondrus ocellatus'],2,3,4.845880627632141
6360,2693,246,Terpenoids,Saccharides,Disaccharides,0.33647016,ISDB,JPLATTLXZFUKRQ-AWXGPMDLSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2/t4-,5+,6-,7+,8+,9-,10+,11-,12+/m1/s1",O=C[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Gloiopeltis furcata,275661.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Gloiopeltis'],['Gloiopeltis furcata'],2,3,4.845880627632141
6361,2693,246,Terpenoids,Saccharides,Disaccharides,0.33647016,ISDB,JPLATTLXZFUKRQ-UHFFFAOYSA-N,"InChI=1S/C12H20O10/c13-1-4(15)10-11(5(16)3-20-10)22-12-9(19)8(18)7(17)6(2-14)21-12/h1,4-12,14-19H,2-3H2",O=CC(O)C1OCC(O)C1OC1OC(CO)C(O)C(O)C1O,C12H20O10,,324.10564684,JPLATTLXZFUKRQ,Carbohydrates,Saccharides,Disaccharides,Pterocladiella tenuis,182322.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Pterocladiella'],['Pterocladiella tenuis'],2,3,4.845880627632141
6362,2689,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,BJEPYKJPYRNKOW-REOHCLBHSA-N,"InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1",O=C(O)C[C@H](O)C(=O)O,C4H6O5,pos_1_1proton1ethylamine,134.021523292,BJEPYKJPYRNKOW,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Euphorbia pereskiifolia,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
6363,2687,656,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,CHXZRHMQQRUVHF-UHFFFAOYSA-N,"InChI=1S/C13H8S/c1-3-5-6-7-9-13-11-10-12(14-13)8-4-2/h3,10-11H,1H2,2H3",C=CC#CC#Cc1ccc(C#CC)s1,C13H8S,pos_1_1proton1ethylamine,196.034671256,CHXZRHMQQRUVHF,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
6364,2687,656,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,0.0,MS1_match,ANIAOEHACLPLEY-UHFFFAOYSA-N,"InChI=1S/C13H8S/c1-3-5-7-9-13-11-10-12(14-13)8-6-4-2/h4,10-11H,2H2,1H3",C=CC#Cc1ccc(C#CC#CC)s1,C13H8S,pos_1_1proton1ethylamine,196.034671256,ANIAOEHACLPLEY,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
6365,2684,-1,,,,0.64446783,ISDB,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea baldschuanica,1036514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea baldschuanica'],7,0,9.577871322631836
6366,2684,-1,,,,0.64446783,ISDB,RZUCCKARTVHQBW-ZFDNOKKTSA-N,"InChI=1S/C15H20O4/c1-8-5-4-6-15(3)13(19-15)12-10(7-11(8)16)9(2)14(17)18-12/h5,10-13,16H,2,4,6-7H2,1,3H3/b8-5+/t10-,11+,12-,13-,15+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C15H20O4,,264.13615912,RZUCCKARTVHQBW,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Zoegea crinita,5794842.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Zoegea'],['Zoegea crinita'],7,0,9.577871322631836
6367,2682,28,Shikimates and Phenylpropanoids,Cyclic polyketides,Furans,0.20361128,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.8144451379776
6368,2681,-1,,,,0.0,MS1_match,ZCDDNVDFOHBRBE-QQUSBYFVSA-N,"InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H32O15,pos_1_1sodium,608.174120324,ZCDDNVDFOHBRBE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6369,2679,-1,,,,0.9064156,ISDB,,,,,,,HVAUUPRFYPCOCA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.625662326812744
6370,2673,-1,,,,0.4667437,ISDB,YRXOQXUDKDCXME-YIVRLKKSSA-N,"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C,C20H41NO2,,327.313729552,YRXOQXUDKDCXME,Fatty acids,Sphingolipids,Sphingoid bases,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.8669748306274414
6371,2673,-1,,,,0.4667437,ISDB,YRXOQXUDKDCXME-YIVRLKKSSA-N,"InChI=1S/C20H41NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(18-22)21(2)3/h16-17,19-20,22-23H,4-15,18H2,1-3H3/b17-16+/t19-,20+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N(C)C,C20H41NO2,,327.313729552,YRXOQXUDKDCXME,Fatty acids,Sphingolipids,Sphingoid bases,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,0,2.8669748306274414
6372,2671,-1,,,,0.0,MS1_match,JZEOKKQUSZYUOF-YSTUJMKBSA-N,"InChI=1S/C24H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)21(25)19-22(28-2)24(20)27/h4-5,7-8,10-11,19,26H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-",CC/C=C\C/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,C24H34O4,pos_1_minus1proton1iron,386.245709568,JZEOKKQUSZYUOF,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Sorghum bicolor,552986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum bicolor'],6,0,6.0
6373,2669,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,ROXDZTIXOBJWLX-HWPGAISGSA-N,"InChI=1S/C25H36O7/c1-8-11(2)22(30)31-19-16-15(23(16,6)7)18(27)14(5)21(29)25-10-13(4)20(28)24(25,32-25)9-12(3)17(19)26/h8-9,13-20,26-28H,10H2,1-7H3/b11-8+,12-9-/t13-,14+,15-,16+,17+,18-,19+,20-,24-,25-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@@H]([C@@H](O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](O)[C@]3(/C=C(/C)[C@H]1O)O4)C2(C)C,C25H36O7,pos_1_minus1proton2potassium,448.246103492,ROXDZTIXOBJWLX,Terpenoids,,,Euphorbia antiquorum,332442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia antiquorum'],8,1,8.5
6374,2668,98,Alkaloids,Ornithine alkaloids,Polyamines,0.5132192,ISDB,NWNGYJFQCYGXHO-UHFFFAOYSA-N,"InChI=1S/C25H31N3O6/c26-12-1-2-14-28(25(34)11-7-19-5-9-21(30)23(32)17-19)15-3-13-27-24(33)10-6-18-4-8-20(29)22(31)16-18/h4-11,16-17,29-32H,1-3,12-15,26H2,(H,27,33)",NCCCCN(CCCNC(=O)C=Cc1ccc(O)c(O)c1)C(=O)C=Cc1ccc(O)c(O)c1,C25H31N3O6,,469.221285712,NWNGYJFQCYGXHO,Alkaloids,Ornithine alkaloids,Polyamines,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],4,3,7.552876710891724
6375,2667,167,Terpenoids,Sesquiterpenoids,Polyamines,0.45090985,ISDB,,,,,,,CCZXUYRSGKPBHZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8036394119262695
6376,2666,-1,,,,0.0,MS1_match,LGTXUFBDCDFQIU-UHFFFAOYSA-N,"InChI=1S/C17H14O4/c1-19-12-5-3-11(4-6-12)16-10-15(18)14-8-7-13(20-2)9-17(14)21-16/h3-10H,1-2H3",COc1ccc(-c2cc(=O)c3ccc(OC)cc3o2)cc1,C17H14O4,pos_2_2sodium,282.089208928,LGTXUFBDCDFQIU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gynerium sagittatum,885307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Gynerieae'],['Gynerium'],['Gynerium sagittatum'],6,0,6.0
6377,2666,-1,,,,0.0,MS1_match,VJJIYNCAKZLESG-UHFFFAOYSA-N,"InChI=1S/C17H14O4/c18-13-5-2-1-4-11(13)8-9-12-10-15(20)17-14(19)6-3-7-16(17)21-12/h1-7,10,18-19H,8-9H2",O=c1cc(CCc2ccccc2O)oc2cccc(O)c12,C17H14O4,pos_2_2sodium,282.089208928,VJJIYNCAKZLESG,Polyketides,Chromanes,Chromones,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,0,6.0
6378,2666,-1,,,,0.0,MS1_match,VJJIYNCAKZLESG-UHFFFAOYSA-N,"InChI=1S/C17H14O4/c18-13-5-2-1-4-11(13)8-9-12-10-15(20)17-14(19)6-3-7-16(17)21-12/h1-7,10,18-19H,8-9H2",O=c1cc(CCc2ccccc2O)oc2cccc(O)c12,C17H14O4,pos_2_2sodium,282.089208928,VJJIYNCAKZLESG,Polyketides,Chromanes,Chromones,Bothriochloa ischaemum,188809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Bothriochloa'],['Bothriochloa ischaemum'],6,0,6.0
6379,2666,-1,,,,0.0,MS1_match,QWKKIZJQYRIBHF-UHFFFAOYSA-N,"InChI=1S/C17H14O4/c1-19-13-5-3-11(4-6-13)15-8-7-14-16(20-2)9-12(18)10-17(14)21-15/h3-10H,1-2H3",COc1ccc(-c2ccc3c(OC)cc(=O)cc-3o2)cc1,C17H14O4,pos_2_2sodium,282.089208928,QWKKIZJQYRIBHF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,0,6.0
6380,2661,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,1,8.5
6381,2661,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_1proton1isopropanol,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,8.5
6382,2660,119,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.53042775,ISDB,ZCPFUYXRGAKFRP-UHFFFAOYSA-N,"InChI=1S/C11H14N2O2/c1-12-7-6-11(15)8-4-2-3-5-9(8)13-10(11)14/h2-5,12,15H,6-7H2,1H3,(H,13,14)",CNCCC1(O)C(=O)Nc2ccccc21,C11H14N2O2,,206.105527688,ZCPFUYXRGAKFRP,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Arundo donax,659304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundineae'],['Arundo'],['Arundo donax'],6,2,9.121711015701294
6383,2659,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.23547544,ISDB,TUUKQSSERLFGKD-GEOWMXDOSA-N,"InChI=1S/C22H36ClNO2/c1-4-5-6-7-11-14-22(26)24-17-15-19(2)18-21(25)20(3)13-10-8-9-12-16-23/h6-9,12,16,19-20H,4-5,10-11,13-15,17-18H2,1-3H3,(H,24,26)/b7-6+,9-8+,16-12+",CCC/C=C/CCC(=O)NCCC(C)CC(=O)C(C)CC/C=C/C=C/Cl,C22H36ClNO2,,381.243457072,TUUKQSSERLFGKD,Fatty acids,Fatty amides,N-acyl amines,Microcoleus,486825.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Microcoleus'],['Unknown'],0,1,1.4419017434120178
6384,2659,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.23547544,ISDB,TUUKQSSERLFGKD-RWFPHQFUSA-N,"InChI=1S/C22H36ClNO2/c1-4-5-6-7-11-14-22(26)24-17-15-19(2)18-21(25)20(3)13-10-8-9-12-16-23/h6-9,12,16,19-20H,4-5,10-11,13-15,17-18H2,1-3H3,(H,24,26)/b7-6+,9-8+,16-12+/t19-,20-/m1/s1",CCC/C=C/CCC(=O)NCC[C@@H](C)CC(=O)[C@H](C)CC/C=C/C=C/Cl,C22H36ClNO2,,381.243457072,TUUKQSSERLFGKD,Fatty acids,Fatty amides,N-acyl amines,Blennothrix majus,173228.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Blennothrix majus'],0,1,1.4419017434120178
6385,2656,706,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.617971,ISDB,GAMKIMZLPVTBDV-XBZKDHOBSA-N,"InChI=1S/C16H20O6/c1-6-5-8(17)10-7(2)15(20)22-13(10)11-9(6)12(18)14(19)16(11,3)21-4/h8,10-13,17-18H,2,5H2,1,3-4H3/t8-,10+,11-,12+,13-,16+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(C)=C1[C@@H](O)C(=O)[C@](C)(OC)[C@@H]12,C16H20O6,,308.12598836,GAMKIMZLPVTBDV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ajania fastigiata,729288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ajania'],['Ajania fastigiata'],4,2,7.47188401222229
6386,2653,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6318464,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,11.527385711669922
6387,2651,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6388,2651,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6389,2650,-1,,,,0.0,MS1_match,WMHZILJKCNQICC-SCEFFUSOSA-N,"InChI=1S/C27H36O6/c1-14-11-23(33-25(31)19(14)13-28)15(2)27(32)10-8-20-18-12-22(30)17-5-4-6-21(29)24(17)16(18)7-9-26(20,27)3/h4-6,15-16,18,20,22-23,28-30,32H,7-13H2,1-3H3/t15-,16+,18-,20+,22-,23-,26+,27+/m1/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4C[C@@H](O)c5cccc(O)c5[C@H]4CC[C@@]32C)C1,C27H36O6,pos_2MMg,456.251188872,WMHZILJKCNQICC,Terpenoids,Steroids,Ergostane steroids,Jaborosa leucotricha,5784102.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa leucotricha'],6,0,6.0
6390,2650,-1,,,,0.0,MS1_match,ZGBZAHFODFQPJW-RYRMUPRVSA-N,"InChI=1S/C27H36O6/c1-13-10-22(33-25(31)14(13)2)27(4,32)24-20(29)11-17-16-9-8-15-6-5-7-21(30)26(15,3)18(16)12-19(28)23(17)24/h5,7-8,13-14,16-18,20,22-24,29,32H,6,9-12H2,1-4H3/t13-,14+,16-,17-,18-,20-,22?,23+,24-,26-,27-/m0/s1",C[C@H]1CC([C@](C)(O)[C@@H]2[C@H]3C(=O)C[C@H]4[C@@H](CC=C5CC=CC(=O)[C@@]54C)[C@@H]3C[C@@H]2O)OC(=O)[C@@H]1C,C27H36O6,pos_2MMg,456.251188872,ZGBZAHFODFQPJW,Terpenoids,Steroids,Ergostane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,0,6.0
6391,2650,-1,,,,0.0,MS1_match,NVKJYOVOBGGULO-RYRMUPRVSA-N,"InChI=1S/C27H36O6/c1-13-10-22(33-25(31)14(13)2)27(4,32)24-20(29)11-17-16-9-8-15-6-5-7-21(30)26(15,3)18(16)12-19(28)23(17)24/h5-6,8,13-14,16-18,20,22-24,29,32H,7,9-12H2,1-4H3/t13-,14+,16-,17-,18-,20-,22?,23+,24-,26-,27-/m0/s1",C[C@H]1CC([C@](C)(O)[C@@H]2[C@H]3C(=O)C[C@H]4[C@@H](CC=C5C=CCC(=O)[C@@]54C)[C@@H]3C[C@@H]2O)OC(=O)[C@@H]1C,C27H36O6,pos_2MMg,456.251188872,NVKJYOVOBGGULO,Terpenoids,Steroids,Cholestane steroids,Deprea subtriflora,903492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Deprea'],['Deprea subtriflora'],6,0,6.0
6392,2647,-1,,,,0.31255707,ISDB,BROJYTRAMIQZHK-UHFFFAOYSA-N,"InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(26)21-23-18-17-20-25(27)22-23/h16-22,26-27H,2-15H2,1H3",CCCCCCCCCCCCCCCC=CC(O)=Cc1cccc(O)c1,C25H40O2,,372.30283052,BROJYTRAMIQZHK,,,,Gluta usitata,3942367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Gluta'],['Gluta usitata'],4,0,5.25022828578949
6393,2646,-1,,,,0.0,MS1_match,IVMLONFHZYZDNZ-UHFFFAOYSA-N,"InChI=1S/C27H36O/c1-23(2)13-9-16-26(5)18-11-20-27(6)19-10-17-24(3)14-7-8-15-25(4)21-12-22-28/h7-8,10-15,17-22H,9,16H2,1-6H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O,C27H36O,pos_1_1proton1ammonium,376.276615772,IVMLONFHZYZDNZ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
6394,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,8.5
6395,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
6396,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
6397,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
6398,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,3,8.5
6399,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
6400,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,3,8.5
6401,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,8.5
6402,2645,230,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
6403,2644,-1,,,,0.60343945,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],1,0,3.413757801055908
6404,2644,-1,,,,0.60343945,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],1,0,3.413757801055908
6405,2644,-1,,,,0.60343945,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],1,0,3.413757801055908
6406,2643,75,Terpenoids,Diterpenoids,Secoabietane diterpenoids,0.0,MS1_match,QLYRTJYMSVNUFC-UHFFFAOYSA-N,"InChI=1S/C19H20O2/c1-11(2)14-10-16(20)17-12-6-5-9-19(3,4)15(12)8-7-13(17)18(14)21/h5-8,10-11H,9H2,1-4H3",CC(C)C1=CC(=O)c2c(ccc3c2C=CCC3(C)C)C1=O,C19H20O2,pos_1_minus1proton1iron,280.14632988,QLYRTJYMSVNUFC,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Veronicastrum sibiricum,484334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronicastrum'],['Veronicastrum sibiricum'],7,3,8.5
6407,2639,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MVSPYXAIGOWGGA-SSQJFHSBSA-N,"InChI=1S/C21H32O10/c1-8-3-4-11-18(31-20(27)21(11,28)7-23)14-9(2)12(5-10(8)14)29-19-17(26)16(25)15(24)13(6-22)30-19/h9-19,22-26,28H,1,3-7H2,2H3/t9-,10+,11-,12+,13-,14+,15-,16+,17-,18+,19-,21+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12,C21H32O10,pos_1_1proton1ammonium,444.199547224,MVSPYXAIGOWGGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
6408,2638,-1,,,,0.31787398,ISDB,DHOXZZVHZKDVKN-FGGGPQFZSA-N,"InChI=1S/C28H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(2)25-31-26-28(30)24-29/h19-20,25,28-30H,3-18,21-24,26H2,1-2H3/b20-19-,27-25+/t28-/m0/s1",CCCCCCCCCCCCCCCCC/C=C\CCC/C(C)=C/OC[C@@H](O)CO,C28H54O3,,438.407295588,DHOXZZVHZKDVKN,Fatty acids,Glycerolipids,Monoacylglycerols,Stylissa carteri,561241.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Stylissa'],['Stylissa carteri'],1,0,2.2714959383010864
6409,2635,-1,,,,0.26325503,ISDB,GVGJRXSJJHLPGZ-UHFFFAOYSA-N,"InChI=1S/C20H30O3/c1-12-13-5-6-15-18(2)8-4-9-19(3,17(22)23)14(18)7-10-20(15,11-13)16(12)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)",C=C1C2CCC3C4(C)CCCC(C)(C(=O)O)C4CCC3(C2)C1O,C20H30O3,,318.21949482,GVGJRXSJJHLPGZ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Semicassis undulata,7495192.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Littorinimorpha'],['Cassidae'],['Unknown'],['Semicassis'],['Semicassis undulata'],4,0,5.053020119667053
6410,2632,-1,,,,0.0,MS1_match,RZPOXAOUEYNXNO-VLSJDARNSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18+,19-/m0/s1",CC(=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,RZPOXAOUEYNXNO,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
6411,2632,-1,,,,0.0,MS1_match,RZPOXAOUEYNXNO-VLSJDARNSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18+,19-/m0/s1",CC(=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,RZPOXAOUEYNXNO,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
6412,2632,-1,,,,0.0,MS1_match,XSVHCRJRFKFCSN-MMNBODBLSA-N,"InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+/t12-,13+,14+,15-,16+,17+,18-/m0/s1",CC(=O)/C=C/C1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XSVHCRJRFKFCSN,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6413,2632,-1,,,,0.0,MS1_match,XSVHCRJRFKFCSN-MMNBODBLSA-N,"InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+/t12-,13+,14+,15-,16+,17+,18-/m0/s1",CC(=O)/C=C/C1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C,C19H30O8,pos_1_1proton1ethylamine,386.19406791999984,XSVHCRJRFKFCSN,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6414,2632,-1,,,,0.0,MS1_match,XVGMYRALTIXNHP-FWLLLMNZSA-N,"InChI=1S/C21H34O8/c1-9-4-5-15(29-20-18(25)17(24)16(23)14(8-22)28-20)21(3)7-13-11(6-12(9)21)10(2)19(26)27-13/h9-18,20,22-25H,4-8H2,1-3H3/t9-,10+,11+,12-,13+,14+,15-,16+,17-,18+,20-,21+/m0/s1",C[C@H]1CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12,C21H34O8,pos_1_1proton1ammonium,414.22536804799984,XVGMYRALTIXNHP,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,0,7.0
6415,2631,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,SQOGHDPATRJCFB-BYGIIOPYSA-N,"InChI=1S/C24H30O5/c1-15-10-18(28-16(2)25)12-24(14-27-24)19-13-23(3,4)21(19)20(11-15)29-22(26)17-8-6-5-7-9-17/h5-10,18-21H,11-14H2,1-4H3/b15-10+/t18-,19-,20+,21-,24-/m1/s1",CC(=O)O[C@@H]1/C=C(\C)C[C@H](OC(=O)c2ccccc2)[C@H]2[C@@H](CC2(C)C)[C@]2(CO2)C1,C24H30O5,pos_2MMg,398.20932406,SQOGHDPATRJCFB,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solidago nemoralis,788652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago nemoralis'],6,2,7.0
6416,2631,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OCQMZQOZDDVMJG-OPJVUUISSA-N,"InChI=1S/C24H30O5/c1-15(2)17-11-12-24(3)20(27)13-19(26)18(14-25)22(24)23(17)29-21(28)10-9-16-7-5-4-6-8-16/h4-10,15,17,20,23,25,27H,11-14H2,1-3H3/b10-9+/t17-,20?,23+,24-/m0/s1",CC(C)[C@@H]1CC[C@]2(C)C(=C(CO)C(=O)CC2O)[C@@H]1OC(=O)/C=C/c1ccccc1,C24H30O5,pos_2MMg,398.20932406,OCQMZQOZDDVMJG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Verbesina lanata,7605850.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina lanata'],6,2,7.0
6417,2630,-1,,,,0.0,MS1_match,VBNBFKLESBQURY-BEJADBNPSA-N,"InChI=1S/C30H38O6/c1-18-13-24-23(29(24,4)5)12-11-22(17-31)14-25-27(35-26(33)15-21-9-7-6-8-10-21)19(2)16-30(25,28(18)34)36-20(3)32/h6-10,13-14,19,23-25,27,31H,11-12,15-17H2,1-5H3/b18-13+,22-14+/t19-,23-,24+,25-,27-,30+/m0/s1",CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)Cc3ccccc3)[C@@H]1/C=C(/CO)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C,C30H38O6,pos_1_1proton1dmso,494.2668389359999,VBNBFKLESBQURY,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,0,8.0
6418,2629,-1,,,,0.0,MS1_match,IYODIJVWGPRBGQ-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H",c1ccc2c(-c3nccs3)c[nH]c2c1,C11H8N2S,pos_1_1proton,200.040819256,IYODIJVWGPRBGQ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
6419,2629,-1,,,,0.0,MS1_match,IYODIJVWGPRBGQ-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H",c1ccc2c(-c3nccs3)c[nH]c2c1,C11H8N2S,pos_1_1proton,200.040819256,IYODIJVWGPRBGQ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Camelina sativa,776348.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Camelina'],['Camelina sativa'],7,0,7.0
6420,2629,-1,,,,0.0,MS1_match,IYODIJVWGPRBGQ-UHFFFAOYSA-N,"InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H",c1ccc2c(-c3nccs3)c[nH]c2c1,C11H8N2S,pos_1_1proton,200.040819256,IYODIJVWGPRBGQ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis,309275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Unknown'],7,0,7.0
6421,2625,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7507314,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya paniculata,81668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya paniculata'],4,3,8.502925634384155
6422,2625,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7507314,ISDB,DPTUTXWBBUARQB-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5,10H",O=c1ccc2cccc(O)c2o1,C9H6O3,,162.031694052,DPTUTXWBBUARQB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Murraya exotica,755734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Murraya'],['Murraya exotica'],4,3,8.502925634384155
6423,2624,-1,,,,0.59676576,ISDB,MVMMIFVHRLMGJC-UHFFFAOYSA-N,"InChI=1S/C11H18O2/c1-9(10(2)8-12)6-4-5-7-11(3)13/h8H,4-7H2,1-3H3",CC(=O)CCCCC(C)=C(C)C=O,C11H18O2,,182.130679816,MVMMIFVHRLMGJC,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,0,3.3870630264282227
6424,2623,-1,,,,0.0,MS1_match,RUTGHCUXABPJTJ-VAXHSPNUSA-N,"InChI=1S/C22H22O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,15,18,21,23,25-27H,9H2,1-2H3/t10-,15+,18+,21-/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1,C22H22O8,pos_1_1sodium,414.131467664,RUTGHCUXABPJTJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Poaceae,508090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Unknown'],['Unknown'],['Unknown'],6,0,6.0
6425,2623,-1,,,,0.0,MS1_match,RUTGHCUXABPJTJ-VAXHSPNUSA-N,"InChI=1S/C22H22O8/c1-10-21(27)15(26)9-18(29-10)20-17(28-2)8-14(25)19-13(24)7-16(30-22(19)20)11-3-5-12(23)6-4-11/h3-8,10,15,18,21,23,25-27H,9H2,1-2H3/t10-,15+,18+,21-/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1,C22H22O8,pos_1_1sodium,414.131467664,RUTGHCUXABPJTJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chrysopogon aciculatus,1078676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon aciculatus'],6,0,6.0
6426,2621,-1,,,,0.0,MS1_match,SWHCKWOYUSDWOF-RGCYKPLRSA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(4-8(21-2)10(7)16)22-14-13(19)12(18)11(17)9(5-15)23-14/h3-4,9,11-19H,5H2,1-2H3/t9-,11-,12+,13-,14-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C14H20O9,pos_1_1potassium,332.11073221999993,SWHCKWOYUSDWOF,,,,Semiarundinaria fastuosa,502615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Semiarundinaria'],['Semiarundinaria fastuosa'],6,0,6.0
6427,2621,-1,,,,0.0,MS1_match,SWHCKWOYUSDWOF-RGCYKPLRSA-N,"InChI=1S/C14H20O9/c1-20-7-3-6(4-8(21-2)10(7)16)22-14-13(19)12(18)11(17)9(5-15)23-14/h3-4,9,11-19H,5H2,1-2H3/t9-,11-,12+,13-,14-/m1/s1",COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C14H20O9,pos_1_1potassium,332.11073221999993,SWHCKWOYUSDWOF,,,,Semiarundinaria fastuosa,502615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Semiarundinaria'],['Semiarundinaria fastuosa'],6,0,6.0
6428,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,BBBGOZCECWORCD-CYBMUJFWSA-N,"InChI=1S/C20H24O5/c1-6-17(21)24-13(4)14-8-7-9-16-18(14)19(23-5)15(20(22)25-16)11-10-12(2)3/h7-10,13H,6,11H2,1-5H3/t13-/m1/s1",CCC(=O)O[C@H](C)c1cccc2oc(=O)c(CC=C(C)C)c(OC)c12,C20H24O5,pos_1_1proton1acetonitrile,344.162373868,BBBGOZCECWORCD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Bothriocline longipes,7622164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Bothriocline'],['Bothriocline longipes'],6,3,7.5
6429,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,IXOGBQKENCHXCF-OQLLNIDSSA-N,"InChI=1S/C20H20O5/c1-13(2)16(22)8-7-15(12-21)9-10-24-18-11-19(23)25-17-6-4-5-14(3)20(17)18/h4-6,9,11-12H,1,7-8,10H2,2-3H3/b15-9+",C=C(C)C(=O)CC/C(C=O)=C\COc1cc(=O)oc2cccc(C)c12,C20H20O5,pos_1_1proton1ethylamine,340.13107374,IXOGBQKENCHXCF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mutisia orbignyana,854534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Mutisia'],['Mutisia orbignyana'],6,3,7.5
6430,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,KGIMVEYISNCCTO-TYWAAFNRSA-N,"InChI=1S/C20H24O5/c1-13(2)16(22)8-7-15(12-21)9-10-24-18-11-19(23)25-17-6-4-5-14(3)20(17)18/h4-6,9,11,16,21-22H,1,7-8,10,12H2,2-3H3/b15-9-/t16-/m0/s1",C=C(C)[C@@H](O)CC/C(=C/COc1cc(=O)oc2cccc(C)c12)CO,C20H24O5,pos_1_1proton1acetonitrile,344.162373868,KGIMVEYISNCCTO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mutisia orbignyana,854534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Mutisia'],['Mutisia orbignyana'],6,3,7.5
6431,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,RZTKNBYICUYZPC-UJPCXNRSSA-N,"InChI=1S/C20H24O5/c1-13(2)9-16(22)10-15(12-21)7-8-24-18-11-19(23)25-17-6-4-5-14(3)20(17)18/h4-7,9,11,16,21-22H,8,10,12H2,1-3H3/b15-7-/t16-/m0/s1",CC(C)=C[C@H](O)C/C(=C/COc1cc(=O)oc2cccc(C)c12)CO,C20H24O5,pos_1_1proton1acetonitrile,344.1623738679999,RZTKNBYICUYZPC,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mutisia orbignyana,854534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Mutisia'],['Mutisia orbignyana'],6,3,7.5
6432,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,VORWHBZMWPLUSB-FSQHETAGSA-N,"InChI=1S/C20H24O5/c1-12(15-10-17(21)20(3,4)25-15)8-9-23-16-11-18(22)24-14-7-5-6-13(2)19(14)16/h5-8,11,15,17,21H,9-10H2,1-4H3/b12-8+/t15-,17-/m1/s1",C/C(=C\COc1cc(=O)oc2cccc(C)c12)[C@H]1C[C@@H](O)C(C)(C)O1,C20H24O5,pos_1_1proton1acetonitrile,344.1623738679999,VORWHBZMWPLUSB,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mutisia orbignyana,854534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Mutisia'],['Mutisia orbignyana'],6,3,7.5
6433,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,HGOYESLTHATKEV-HTRKUNOGSA-N,"InChI=1S/C20H24O5/c1-13(2)7-8-16(22)15(12-21)9-10-24-18-11-19(23)25-17-6-4-5-14(3)20(17)18/h4-7,9,11,16,21-22H,8,10,12H2,1-3H3/b15-9+/t16-/m1/s1",CC(C)=CC[C@@H](O)/C(=C/COc1cc(=O)oc2cccc(C)c12)CO,C20H24O5,pos_1_1proton1acetonitrile,344.1623738679999,HGOYESLTHATKEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Mutisia orbignyana,854534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Mutisia'],['Mutisia orbignyana'],6,3,7.5
6434,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,GUJJYAWCAPDUTL-RTTSXJDWSA-N,"InChI=1S/C20H20O5/c1-9-5-4-6-12-14(9)17-15(18(21)23-12)16-13-10(2)7-8-11(13)20(3,25-17)19(22)24-16/h4-6,10-11,13,16H,7-8H2,1-3H3/t10-,11-,13+,16+,20+/m0/s1",Cc1cccc2oc(=O)c3c(c12)O[C@@]1(C)C(=O)O[C@@H]3[C@@H]2[C@@H](C)CC[C@@H]21,C20H20O5,pos_1_1proton1ethylamine,340.13107374,GUJJYAWCAPDUTL,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Aphyllocladus denticulatus,6059615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Onoserideae'],['Aphyllocladus'],['Aphyllocladus denticulatus'],6,3,7.5
6435,2620,1209,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Simple coumarins,0.0,MS1_match,TVDKTNHSAAVHMX-UHFFFAOYSA-N,"InChI=1S/C20H24O5/c1-14(5-4-6-15(2)13-21)9-10-24-19-12-17-16(11-18(19)23-3)7-8-20(22)25-17/h6-9,11-12,21H,4-5,10,13H2,1-3H3",COc1cc2ccc(=O)oc2cc1OCC=C(C)CCC=C(C)CO,C20H24O5,pos_1_1proton1acetonitrile,344.162373868,TVDKTNHSAAVHMX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia keiskeana,1034915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia keiskeana'],6,3,7.5
6436,2617,74,Amino acids and Peptides,Small peptides,Aminoacids,0.740735,ISDB,YDGMGEXADBMOMJ-UHFFFAOYSA-N,"InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)",CN(C)C(=N)NCCCC(N)C(=O)O,C8H18N4O2,,202.142975816,YDGMGEXADBMOMJ,Amino acids and Peptides,Small peptides,Aminoacids,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,8.462939977645874
6437,2616,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47271088,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio linifolius,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.890843510627747
6438,2616,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47271088,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio mitophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.890843510627747
6439,2616,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.47271088,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio odontophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.890843510627747
6440,2609,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48638558,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,1,8.445542335510254
6441,2609,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48638558,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Globularia alypum,5921385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia alypum'],6,1,8.445542335510254
6442,2609,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48638558,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,8.445542335510254
6443,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum procumbens,620741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum procumbens'],6,3,7.5
6444,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-FIWHBWSRSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20?/m1/s1",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,3,7.5
6445,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,3,7.5
6446,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-VQTJNVASSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,7.5
6447,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-PMACEKPBSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],6,3,7.5
6448,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paczoskii,900596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paczoskii'],6,3,7.5
6449,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-WOJBJXKFSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m1/s1",CN1CCc2cc3c(cc2[C@]12C(=O)c1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis thyrsiflora,6130614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis thyrsiflora'],6,3,7.5
6450,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,VOWFDBNJQRRZQO-BTSWOQPFSA-N,"InChI=1S/C20H17NO6/c1-21-18-16(22)10-4-13-14(25-7-24-13)5-11(10)20(18)6-9-2-3-12-17(26-8-23-12)15(9)19(21)27-20/h2-5,16,18-19,22H,6-8H2,1H3/t16?,18-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C(O)[C@@H]13)OCO4,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,VOWFDBNJQRRZQO,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis villosa,21198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Cathcartia'],['Cathcartia villosa'],6,3,7.5
6451,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,FMSAUXVLMOWFGE-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-15-16(25-9-24-15)7-13(11)20(21)8-12-2-3-14-18(26-10-23-14)17(12)19(22)27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1C(=O)O2)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,FMSAUXVLMOWFGE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum leptocarpum,304278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum leptocarpum'],6,3,7.5
6452,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,LXXMSQCFZNGXJH-XCLNPWKQSA-N,"InChI=1S/C20H17NO6/c1-21-15-5-9-4-13-14(25-7-24-13)6-11(9)20(15)18(22)10-2-3-12-17(26-8-23-12)16(10)19(21)27-20/h2-4,6,15,18-19,22H,5,7-8H2,1H3/t15-,18-,19+,20+/m1/s1",CN1[C@H]2O[C@]3(c4cc5c(cc4C[C@@H]13)OCO5)[C@H](O)c1ccc3c(c12)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,LXXMSQCFZNGXJH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,7.5
6453,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UPVAYLMWVRMHNE-NJAPINKUSA-N,"InChI=1S/C20H17NO6/c1-21-18-11-6-15-14(25-7-26-15)5-9(11)4-12(22)16(18)10-2-3-13-19(27-8-24-13)17(10)20(21)23/h2-3,5-6,12,16,18,22H,4,7-8H2,1H3/t12-,16-,18+/m1/s1",CN1C(=O)c2c(ccc3c2OCO3)[C@@H]2[C@H](O)Cc3cc4c(cc3[C@@H]21)OCO4,C20H17NO6,pos_1_1proton1methanol,367.105587264,UPVAYLMWVRMHNE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
6454,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,HWEUMEIJVMZCHG-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-15-6-9-5-14(24-2)12(22)7-11(9)20(21)18(23)16-10(19(20)27-15)3-4-13-17(16)26-8-25-13/h3-5,7,15,19,22H,6,8H2,1-2H3",COc1cc2c(cc1O)C13C(=O)c4c(ccc5c4OCO5)C1OC(C2)N3C,C20H17NO6,pos_1_1proton1methanol,367.105587264,HWEUMEIJVMZCHG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Rupicapnos africana,538836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Rupicapnos'],['Rupicapnos africana'],6,3,7.5
6455,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-FIWHBWSRSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20?/m1/s1",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,3,7.5
6456,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-VQTJNVASSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],6,3,7.5
6457,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
6458,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-PMACEKPBSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,3,7.5
6459,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-PMACEKPBSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pseudoadunca,6130530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pseudoadunca'],6,3,7.5
6460,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
6461,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis flabellata,6130375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis flabellata'],6,3,7.5
6462,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-VQTJNVASSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],6,3,7.5
6463,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-FIWHBWSRSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20?/m1/s1",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,3,7.5
6464,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-FIWHBWSRSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20?/m1/s1",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,3,7.5
6465,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,3,7.5
6466,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-VQTJNVASSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20+/m0/s1",CN1CCc2cc3c(cc2[C@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,7.5
6467,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-PMACEKPBSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],6,3,7.5
6468,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paczoskii,900596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paczoskii'],6,3,7.5
6469,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-WOJBJXKFSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m1/s1",CN1CCc2cc3c(cc2[C@]12C(=O)c1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis thyrsiflora,6130614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis thyrsiflora'],6,3,7.5
6470,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-PMACEKPBSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,3,7.5
6471,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-PMACEKPBSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3/t19-,20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12C(=O)c1ccc4c(c1[C@@H]2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pseudoadunca,6130530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pseudoadunca'],6,3,7.5
6472,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,BQZZTMXCHPNTCL-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(26-8-25-14)7-12(10)20(21)18(22)11-2-3-13-17(27-9-24-13)16(11)19(20)23/h2-3,6-7,19,23H,4-5,8-9H2,1H3",CN1CCc2cc3c(cc2C12C(=O)c1ccc4c(c1C2O)OCO4)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,BQZZTMXCHPNTCL,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis flabellata,6130375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis flabellata'],6,3,7.5
6473,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZCYKZKHWXPZUDQ-UHFFFAOYSA-N,"InChI=1S/C21H21NO7/c1-22-8-7-11-9-15(27-3)16(28-4)10-13(11)21(22)19(24)12-5-6-14(26-2)18(23)17(12)20(25)29-21/h5-6,9-10,23H,7-8H2,1-4H3",COc1cc2c(cc1OC)C1(OC(=O)c3c(ccc(OC)c3O)C1=O)N(C)CC2,C21H21NO7,pos_1_1proton,399.131802012,ZCYKZKHWXPZUDQ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,3,7.5
6474,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ICGJAAVPMLXDHF-AEFFLSMTSA-N,"InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-19(28-9-27-13)20(26-3)14(10)16(22)18-11-4-5-12(25-2)17(23)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1",COc1ccc2c(c1O)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C,C21H21NO7,pos_1_1proton,399.131802012,ICGJAAVPMLXDHF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
6475,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
6476,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
6477,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,3,7.5
6478,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
6479,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver albiflorum,5727872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver albiflorum'],6,3,7.5
6480,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver guerlekense,6130813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver guerlekense'],6,3,7.5
6481,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pinnatifidum,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,3,7.5
6482,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
6483,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lapponicum,38473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lapponicum'],6,3,7.5
6484,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dahlianum,232568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
6485,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver laestadianum,6130823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver laestadianum'],6,3,7.5
6486,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,3,7.5
6487,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
6488,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
6489,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis speciosa,5727987.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis speciosa'],6,3,7.5
6490,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dubium,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,3,7.5
6491,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia caespitosa,326295.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia caespitosa'],6,3,7.5
6492,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
6493,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
6494,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZVQVISCCLGOWHH-UHFFFAOYSA-O,"InChI=1S/C20H17NO4/c1-21-6-5-13-8-18-19(25-11-24-18)9-14(13)16(21)7-12-3-4-17(23-2)20(22)15(12)10-21/h3-5,7-10H,6,11H2,1-2H3/p+1",COc1ccc2c(c1O)=C[N+]1(C)CC=c3cc4c(cc3=C1C=2)OCO4,C20H18NO4+,pos_1_1sodium1acetonitrile,336.12303447609,ZVQVISCCLGOWHH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
6495,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
6496,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,LMGZCSKYOKDBES-AEFFLSMTSA-N,"InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1",COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2O)OCO3)CCN1C,C21H21NO7,pos_1_1proton,399.1318020119999,LMGZCSKYOKDBES,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
6497,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
6498,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone albiflora,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,3,7.5
6499,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
6500,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone alba,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,3,7.5
6501,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
6502,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,3,7.5
6503,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,3,7.5
6504,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,3,7.5
6505,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pseudofumaria lutea,978868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pseudofumaria'],['Pseudofumaria lutea'],6,3,7.5
6506,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia lobbii,155148.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia lobbii'],6,3,7.5
6507,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hunnemannia fumariifolia,96180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hunnemannia'],['Hunnemannia fumariifolia'],6,3,7.5
6508,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone grandiflora,739052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone grandiflora'],6,3,7.5
6509,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone aenea,3944915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone aenea'],6,3,7.5
6510,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
6511,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis govaniana,5727971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis govaniana'],6,3,7.5
6512,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dicranostigma lactucoides,510012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicranostigma'],['Dicranostigma lactucoides'],6,3,7.5
6513,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
6514,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
6515,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia,439722.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Unknown'],6,3,7.5
6516,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,3,7.5
6517,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
6518,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,3,7.5
6519,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum lasiocarpum,1086764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum lasiocarpum'],6,3,7.5
6520,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone subfusiformis,789713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone subfusiformis'],6,3,7.5
6521,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
6522,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YBHILYKTIRIUTE-UHFFFAOYSA-N,"InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1",COc1ccc2cc3[n+](cc2c1OC)CCc1cc2c(cc1-3)OCO2,C20H18NO4+,pos_1_1sodium1acetonitrile,336.1230344760899,YBHILYKTIRIUTE,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,3,7.5
6523,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZVQVISCCLGOWHH-UHFFFAOYSA-O,"InChI=1S/C20H17NO4/c1-21-6-5-13-8-18-19(25-11-24-18)9-14(13)16(21)7-12-3-4-17(23-2)20(22)15(12)10-21/h3-5,7-10H,6,11H2,1-2H3/p+1",COc1ccc2c(c1O)=C[N+]1(C)CC=c3cc4c(cc3=C1C=2)OCO4,C20H18NO4+,pos_1_1sodium1acetonitrile,336.12303447609,ZVQVISCCLGOWHH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hunnemannia fumariifolia,96180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hunnemannia'],['Hunnemannia fumariifolia'],6,3,7.5
6524,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum erectum,5728017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum erectum'],6,3,7.5
6525,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pteridophyllum racemosum,778816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pteridophyllum'],['Pteridophyllum racemosum'],6,3,7.5
6526,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,3,7.5
6527,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3",CN1CCc2cc3c(cc2C12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
6528,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum procumbens,620741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum procumbens'],6,3,7.5
6529,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum erectum,5728017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum erectum'],6,3,7.5
6530,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pteridophyllum racemosum,778816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pteridophyllum'],['Pteridophyllum racemosum'],6,3,7.5
6531,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-FQEVSTJZSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3/t20-/m0/s1",CN1CCc2cc3c(cc2[C@@]12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.105587264,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,3,7.5
6532,2608,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFLLMUXSZJESOF-UHFFFAOYSA-N,"InChI=1S/C20H17NO6/c1-21-5-4-11-6-16-17(25-9-24-16)7-14(11)20(21)19(22)12-2-3-15-18(26-10-23-15)13(12)8-27-20/h2-3,6-7H,4-5,8-10H2,1H3",CN1CCc2cc3c(cc2C12OCc1c(ccc4c1OCO4)C2=O)OCO3,C20H17NO6,pos_1_1proton1methanol,367.1055872639999,DFLLMUXSZJESOF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
6533,2606,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,pos_1_1proton1ethylamine,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,2,7.0
6534,2604,806,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,0.8909436,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,3,12.063774347305298
6535,2604,806,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,0.8909436,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,3,12.063774347305298
6536,2603,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,DKDNAXCFLHJSMY-XPCPDTLUSA-N,"InChI=1S/C23H32O6/c1-11(2)29-23-17(20(23,5)6)15-8-14(10-24)9-21(27)16(7-12(3)18(21)25)22(15,28)13(4)19(23)26/h7-8,13,15-17,19,24,26-28H,1,9-10H2,2-6H3/t13-,15+,16-,17-,19-,21-,22-,23-/m1/s1",C=C(C)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C,C23H32O6,pos_2MFe,404.219888744,DKDNAXCFLHJSMY,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia fischeri,3912410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeri'],8,2,9.0
6537,2603,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,DKDNAXCFLHJSMY-XPCPDTLUSA-N,"InChI=1S/C23H32O6/c1-11(2)29-23-17(20(23,5)6)15-8-14(10-24)9-21(27)16(7-12(3)18(21)25)22(15,28)13(4)19(23)26/h7-8,13,15-17,19,24,26-28H,1,9-10H2,2-6H3/t13-,15+,16-,17-,19-,21-,22-,23-/m1/s1",C=C(C)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C,C23H32O6,pos_2MFe,404.219888744,DKDNAXCFLHJSMY,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],8,2,9.0
6538,2602,561,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.0,MS1_match,PLVPPLCLBIEYEA-WAYWQWQTSA-N,"InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5-",O=C(O)/C=C\c1c[nH]c2ccccc12,C11H9NO2,pos_1_1proton,187.063328528,PLVPPLCLBIEYEA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
6539,2601,1012,Shikimates and Phenylpropanoids,Chromanes,Flavones,0.0,MS1_match,FZAQRVWPQCXSPC-UHFFFAOYSA-N,"InChI=1S/C9H7NO3/c1-5(11)6-3-2-4-7-8(6)10-9(12)13-7/h2-4H,1H3,(H,10,12)",CC(=O)c1cccc2oc(=O)[nH]c12,C9H7NO3,pos_1_1proton,177.042593084,FZAQRVWPQCXSPC,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
6540,2600,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8422066,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,3,5.868826389312744
6541,2598,334,Terpenoids,Triterpenoids,Cholestane steroids,0.55268294,ISDB,WALCWEJDMSYABA-KTRFSCICSA-N,"InChI=1S/C29H46O4/c1-24(17-30)10-12-29(16-24)13-11-27(4)19(14-29)6-7-22-25(2)15-20(32)23(33)26(3,18-31)21(25)8-9-28(22,27)5/h6-7,14,20-23,30-33H,8-13,15-18H2,1-5H3/t20-,21-,22-,23-,24+,25+,26+,27-,28-,29+/m1/s1",C[C@]1(CO)CC[C@]2(C=C3C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C1,C29H46O4,,458.3396099519999,WALCWEJDMSYABA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phlomoides hamosa,909061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomoides'],['Phlomoides hamosa'],5,2,8.210731744766235
6542,2596,-1,,,,0.0,MS1_match,URFCJEUYXNAHFI-UHFFFAOYSA-N,"InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2",O=C1CC(c2ccccc2)Oc2cc(O)cc(O)c21,C15H12O4,pos_1_1proton2acetonitrile,256.073558864,URFCJEUYXNAHFI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,0,7.0
6543,2596,-1,,,,0.0,MS1_match,DQMKMLLJEBRNEY-ZFBDNBDMSA-N,"InChI=1S/C32H42N6O8/c1-17(2)26-31(45)35-23(15-21-10-12-22(40)13-11-21)29(43)34-18(3)28(42)33-16-25(41)37-27(19(4)39)32(46)36-24(30(44)38-26)14-20-8-6-5-7-9-20/h5-13,17-19,23-24,26-27,39-40H,14-16H2,1-4H3,(H,33,42)(H,34,43)(H,35,45)(H,36,46)(H,37,41)(H,38,44)/t18-,19+,23-,24-,26-,27-/m0/s1",CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,C32H42N6O8,pos_2_1calcium,638.306412304,DQMKMLLJEBRNEY,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,0,7.0
6544,2596,-1,,,,0.0,MS1_match,MUIJADDNJGTWGO-SMOWBQGQSA-N,"InChI=1S/C32H42N6O8/c1-18(20(3)40)27-32(46)37-24(15-22-12-8-5-9-13-22)30(44)36-23(14-21-10-6-4-7-11-21)29(43)34-19(2)28(42)33-16-26(41)35-25(17-39)31(45)38-27/h4-13,18-20,23-25,27,39-40H,14-17H2,1-3H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,37,46)(H,38,45)/t18-,19-,20+,23-,24+,25-,27+/m1/s1",C[C@H]([C@H](C)O)[C@@H]1NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O,C32H42N6O8,pos_2_1calcium,638.306412304,MUIJADDNJGTWGO,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Stellaria delavayi,6035707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria delavayi'],7,0,7.0
6545,2596,-1,,,,0.0,MS1_match,ZHSYALRVBJDBNY-GFRGYEAHSA-N,"InChI=1S/C32H42N6O8/c1-19(13-14-39)27-32(46)37-24(16-22-11-7-4-8-12-22)30(44)36-23(15-21-9-5-3-6-10-21)29(43)34-20(2)28(42)33-17-26(41)35-25(18-40)31(45)38-27/h3-12,19-20,23-25,27,39-40H,13-18H2,1-2H3,(H,33,42)(H,34,43)(H,35,41)(H,36,44)(H,37,46)(H,38,45)/t19-,20-,23-,24-,25-,27-/m0/s1",C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)CCO)NC(=O)[C@H](CO)NC(=O)CNC1=O,C32H42N6O8,pos_2_1calcium,638.306412304,ZHSYALRVBJDBNY,Amino acids and Peptides,Oligopeptides,Cyclic peptides,Stellaria yunnanensis,5728503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria yunnanensis'],7,0,7.0
6546,2595,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,ZMQZEEAERZPRGX-VVQKBAEHSA-N,"InChI=1S/C38H44O9/c1-23-18-19-37(6,7)32(41)21-31(45-35(42)28-14-10-8-11-15-28)24(2)20-30-33(46-36(43)29-16-12-9-13-17-29)25(3)22-38(30,47-27(5)40)34(23)44-26(4)39/h8-20,23,25,30-31,33-34H,21-22H2,1-7H3/b19-18-,24-20-/t23-,25-,30+,31-,33+,34-,38-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C38H44O9,pos_1_1proton1ammonium,644.298532988,ZMQZEEAERZPRGX,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,8.5
6547,2593,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.4994812,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],1,2,3.9979248046875
6548,2591,-1,,,,0.0,MS1_match,VOLMSPGWNYJHQQ-BYPYZUCNSA-N,"InChI=1S/C6H8O4/c1-3-5(8)6(9)4(7)2-10-3/h4,7-8H,2H2,1H3/t4-/m0/s1",CC1=C(O)C(=O)[C@@H](O)CO1,C6H8O4,pos_2MK,144.042258736,VOLMSPGWNYJHQQ,Polyketides,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
6549,2586,-1,,,,0.0,MS1_match,YZJCDVRXBOPXSQ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",CCCCC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,YZJCDVRXBOPXSQ,Fatty acids,Fatty esters,Wax monoesters,Achillea abrotanoides,295546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea abrotanoides'],6,0,6.0
6550,2586,-1,,,,0.0,MS1_match,YHSGXZITHLPVHN-CPCISQLKSA-N,"InChI=1S/C12H16O2/c1-7-5-9(13)3-4-10-8(2)12(14)6-11(7)10/h7,11H,3-6H2,1-2H3/t7-,11-/m0/s1",CC1=C2CCC(=O)C[C@H](C)[C@@H]2CC1=O,C12H16O2,pos_1_minus1proton1iron,192.115029752,YHSGXZITHLPVHN,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Pechuel-loeschea leubnitziae,182170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pechuel-loeschea'],['Pechuel-loeschea leubnitziae'],6,0,6.0
6551,2586,-1,,,,0.0,MS1_match,HWUVWTVJCIZTMA-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(14-11(2)13)8-9-12-6-4-3-5-7-12/h6,10H,3-5,7H2,1-2H3",CC(=O)OC(C)C#CC1=CCCCC1,C12H16O2,pos_1_minus1proton1iron,192.115029752,HWUVWTVJCIZTMA,,,,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],6,0,6.0
6552,2586,-1,,,,0.0,MS1_match,PTKDIBUNVYIPOD-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-3-10(2)12(13)14-9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3",CCC(C)C(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,PTKDIBUNVYIPOD,,,,Artemisia salsoloides,543049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia salsoloides'],6,0,6.0
6553,2586,-1,,,,0.0,MS1_match,PKIACAVLEKTYRW-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3",CCCOC(=O)CCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,PKIACAVLEKTYRW,Fatty acids,Fatty esters,Wax monoesters,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],6,0,6.0
6554,2586,-1,,,,0.0,MS1_match,YQPAOLMOGAHRLG-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)14-12(13)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)OC(=O)CCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,YQPAOLMOGAHRLG,Fatty acids,Fatty esters,Wax monoesters,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],6,0,6.0
6555,2586,-1,,,,0.0,MS1_match,QKNZNUNCDJZTCH-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3",CCCCCOC(=O)c1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,QKNZNUNCDJZTCH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],6,0,6.0
6556,2586,-1,,,,0.0,MS1_match,JDQVBGQWADMTAM-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)12(13)14-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)C(=O)OCCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,JDQVBGQWADMTAM,Fatty acids,Fatty esters,Wax monoesters,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],6,0,6.0
6557,2586,-1,,,,0.0,MS1_match,BKYVJXZONZSTIB-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-8(2)10-7-11(13-4)9(3)6-12(10)14-5/h6-7H,1H2,2-5H3",C=C(C)c1cc(OC)c(C)cc1OC,C12H16O2,pos_1_minus1proton1iron,192.115029752,BKYVJXZONZSTIB,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Calea pilosa,7606941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea pilosa'],6,0,6.0
6558,2586,-1,,,,0.0,MS1_match,BKYVJXZONZSTIB-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-8(2)10-7-11(13-4)9(3)6-12(10)14-5/h6-7H,1H2,2-5H3",C=C(C)c1cc(OC)c(C)cc1OC,C12H16O2,pos_1_minus1proton1iron,192.115029752,BKYVJXZONZSTIB,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Arnica montana,942734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica montana'],6,0,6.0
6559,2586,-1,,,,0.0,MS1_match,WFMIUXMJJBBOGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3",CC(=O)Oc1cc(C)ccc1C(C)C,C12H16O2,pos_1_minus1proton1iron,192.115029752,WFMIUXMJJBBOGJ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Heterocondylus didymus,7603664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Heterocondylus'],['Heterocondylus didymus'],6,0,6.0
6560,2586,-1,,,,0.0,MS1_match,JATNGBVNDFMUTQ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h5-6,9-10H,3-4,11H2,1-2H3",CCCC=CC#CC=CCOC(C)=O,C12H16O2,pos_1_minus1proton1iron,192.115029752,JATNGBVNDFMUTQ,Fatty acids,Fatty esters,Wax monoesters,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],6,0,6.0
6561,2586,-1,,,,0.0,MS1_match,WFMIUXMJJBBOGJ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3",CC(=O)Oc1cc(C)ccc1C(C)C,C12H16O2,pos_1_minus1proton1iron,192.115029752,WFMIUXMJJBBOGJ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Laggera decurrens,622626.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Laggera'],['Laggera decurrens'],6,0,6.0
6562,2586,-1,,,,0.0,MS1_match,HVJKZICIMIWFCP-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)CC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,HVJKZICIMIWFCP,Fatty acids,Fatty esters,Wax monoesters,Conyza incana,6055997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza incana'],6,0,6.0
6563,2586,-1,,,,0.0,MS1_match,HVJKZICIMIWFCP-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)CC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,HVJKZICIMIWFCP,Fatty acids,Fatty esters,Wax monoesters,Tanacetum parthenium,488828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum parthenium'],6,0,6.0
6564,2586,-1,,,,0.0,MS1_match,HVJKZICIMIWFCP-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)CC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,HVJKZICIMIWFCP,Fatty acids,Fatty esters,Wax monoesters,Artemisia salsoloides,543049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia salsoloides'],6,0,6.0
6565,2586,-1,,,,0.0,MS1_match,HVJKZICIMIWFCP-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)CC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,HVJKZICIMIWFCP,Fatty acids,Fatty esters,Wax monoesters,Artemisia judaica,729282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia judaica'],6,0,6.0
6566,2586,-1,,,,0.0,MS1_match,HVJKZICIMIWFCP-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)CC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,HVJKZICIMIWFCP,Fatty acids,Fatty esters,Wax monoesters,Achillea abrotanoides,295546.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea abrotanoides'],6,0,6.0
6567,2586,-1,,,,0.0,MS1_match,RJASFPFZACBKBE-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)9-14-12(13)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)COC(=O)Cc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,RJASFPFZACBKBE,Fatty acids,Fatty esters,Wax monoesters,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
6568,2586,-1,,,,0.0,MS1_match,YZJCDVRXBOPXSQ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",CCCCC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,YZJCDVRXBOPXSQ,Fatty acids,Fatty esters,Wax monoesters,Artemisia caruifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
6569,2586,-1,,,,0.0,MS1_match,YZJCDVRXBOPXSQ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",CCCCC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,YZJCDVRXBOPXSQ,Fatty acids,Fatty esters,Wax monoesters,Artemisia apiacea,119930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia apiacea'],6,0,6.0
6570,2586,-1,,,,0.0,MS1_match,YZJCDVRXBOPXSQ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",CCCCC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,YZJCDVRXBOPXSQ,Fatty acids,Fatty esters,Wax monoesters,Artemisia carvifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
6571,2586,-1,,,,0.0,MS1_match,YZJCDVRXBOPXSQ-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-2-3-9-12(13)14-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3",CCCCC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,YZJCDVRXBOPXSQ,Fatty acids,Fatty esters,Wax monoesters,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
6572,2586,-1,,,,0.0,MS1_match,HVJKZICIMIWFCP-UHFFFAOYSA-N,"InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3",CC(C)CC(=O)OCc1ccccc1,C12H16O2,pos_1_minus1proton1iron,192.115029752,HVJKZICIMIWFCP,Fatty acids,Fatty esters,Wax monoesters,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
6573,2586,-1,,,,0.0,MS1_match,RXWDQVKQVHMAMQ-QPUJVOFHSA-N,"InChI=1S/C12H16O2/c1-8-4-3-5-9-6-10(13)11(14)7-12(8,9)2/h6-8,14H,3-5H2,1-2H3/t8-,12+/m0/s1",C[C@H]1CCCC2=CC(=O)C(O)=C[C@@]21C,C12H16O2,pos_1_minus1proton1iron,192.115029752,RXWDQVKQVHMAMQ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia fischeri,619951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia fischeri'],6,0,6.0
6574,2585,-1,,,,0.40418777,ISDB,ATMSEJBABXCWDW-UHFFFAOYSA-N,"InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)",CCCCCCCCCCCCC(O)CC(=O)O,C15H30O3,,258.21949482,ATMSEJBABXCWDW,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pseudosuberites,1097528.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Suberitidae'],['Unknown'],['Pseudosuberites'],['Unknown'],2,0,3.6167510747909546
6575,2583,-1,,,,0.25779414,ISDB,FGUPQPDMAULLNU-RWSFTLGLSA-N,"InChI=1S/C15H20O3/c1-9-4-5-11-10(6-9)8-15(17)12(14(11,2)3)7-13(16)18-15/h6-7,10-11,17H,4-5,8H2,1-3H3/t10-,11+,15-/m0/s1",CC1=C[C@H]2C[C@]3(O)OC(=O)C=C3C(C)(C)[C@@H]2CC1,C15H20O3,,248.1412445,FGUPQPDMAULLNU,Terpenoids,Sesquiterpenoids,Pacifigorgiane sesquiterpenoids,Felimare zebra,2875381.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Chromodorididae'],['Unknown'],['Felimare'],['Felimare zebra'],4,0,5.031176567077637
6576,2582,-1,,,,0.0,MS1_match,KBIWUMHYWKJJQU-DGKPSGSUSA-N,"InChI=1S/C35H50O13/c1-11-16(3)32(40)47-29-27-25(24(28(29)39)20(7)45-22(9)37)26(34(10)14-42-34)30(46-23(38)13-18(5)19(6)44-21(8)36)31(35(27)15-43-35)48-33(41)17(4)12-2/h13,16-17,19-20,24-27,29-31H,11-12,14-15H2,1-10H3/b18-13+/t16-,17-,19+,20+,24-,25+,26+,27+,29+,30-,31-,34-,35+/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C(=O)[C@H]([C@H](C)OC(C)=O)[C@@H]2[C@@H]1[C@@]1(CO1)[C@H](OC(=O)[C@H](C)CC)[C@H](OC(=O)/C=C(\C)[C@H](C)OC(C)=O)[C@H]2[C@@]1(C)CO1,C35H50O13,pos_2_1proton1potassium,678.32514166,KBIWUMHYWKJJQU,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Rugelia nudicaulis,858586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Rugelia'],['Rugelia nudicaulis'],6,0,6.0
6577,2581,94,Terpenoids,Flavonoids,Disaccharides,0.2156708,ISDB,WRIRJVDXCHWRSC-WYDQCIBASA-N,"InChI=1S/C7H12O6/c1-7(6(10)11)12-3-4(9)5(2-8)13-7/h4-5,8-9H,2-3H2,1H3,(H,10,11)/t4-,5-,7-/m1/s1",C[C@@]1(C(=O)O)OC[C@@H](O)[C@@H](CO)O1,C7H12O6,,192.063388104,WRIRJVDXCHWRSC,,,,Xanthomonas campestris,363739.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Xanthomonadales'],['Xanthomonadaceae'],['Unknown'],['Xanthomonas'],['Xanthomonas campestris'],0,0,0.8626831769943237
6578,2580,762,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.0,MS1_match,OGLDWXZKYODSOB-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",CC1=CCC(C(C)C)C=C1,C10H16,pos_1_1proton1ammonium,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6579,2576,-1,,,,0.53299385,ISDB,BWUHBYAUQSZOCK-YAHYATPASA-N,"InChI=1S/C29H48O5/c1-24(16-30)10-12-29(15-24)13-11-27(4)18(22(29)33)6-7-21-25(2)14-19(32)23(34)26(3,17-31)20(25)8-9-28(21,27)5/h6,19-23,30-34H,7-17H2,1-5H3/t19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,29+/m1/s1",C[C@]1(CO)CC[C@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2O)C1,C29H48O5,,476.350174636,BWUHBYAUQSZOCK,Terpenoids,Triterpenoids,Oleanane triterpenoids,Gomphostemma parviflorum,6080952.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Gomphostemmateae'],['Gomphostemma'],['Gomphostemma parviflorum'],5,0,7.131975412368774
6580,2574,-1,,,,0.63674986,ISDB,,,,,,,FBLNHSDBHNXKFB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.546999454498291
6581,2573,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5246685,ISDB,BSDFKVHDDFHAFR-UHFFFAOYSA-N,"InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3",CC1=CC(=O)C23C(C)CCC(CC12)C3(C)C,C15H22O,,218.167065324,BSDFKVHDDFHAFR,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton,929953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Unknown'],6,2,9.098674058914185
6582,2573,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5246685,ISDB,BSDFKVHDDFHAFR-FJJYHAOUSA-N,"InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3/t10-,11-,12+,15+/m1/s1",CC1=CC(=O)[C@]23[C@H](C)CC[C@H](C[C@@H]12)C3(C)C,C15H22O,,218.167065324,BSDFKVHDDFHAFR,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton arboreus,765997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton arboreus'],6,2,9.098674058914185
6583,2571,163,Shikimates and Phenylpropanoids,Steroids,Spirostane steroids,0.0,MS1_match,KAZSKMJFUPEHHW-UHFFFAOYSA-N,"InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3",C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O,C21H22O4,pos_1_minus1proton1iron,338.151809184,KAZSKMJFUPEHHW,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,1,9.5
6584,2571,163,Shikimates and Phenylpropanoids,Steroids,Spirostane steroids,0.0,MS1_match,KAZSKMJFUPEHHW-UHFFFAOYSA-N,"InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3",C=CC(C)(C)c1cc(C=CC(=O)c2ccc(O)cc2)c(OC)cc1O,C21H22O4,pos_1_minus1proton1iron,338.151809184,KAZSKMJFUPEHHW,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,1,9.5
6585,2570,-1,,,,0.0,MS1_match,GYSZYWSJZCKCBD-UHFFFAOYSA-N,"InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3",CC(C)(O)C1OC2CCC3(C)C(CCC4Cc5c([nH]c6ccccc56)C43C)C2=CC1=O,C27H33NO3,pos_1_minus1proton1calcium,419.246043916,GYSZYWSJZCKCBD,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Lolium perenne,135774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Lolium'],['Lolium perenne'],6,0,6.0
6586,2568,447,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.23214534,ISDB,ZKYNLPLNNYOIPE-QSJFSLAZSA-N,"InChI=1S/C17H24O4/c1-11(20)21-14-8-12(9-18)13(10-19)17(4)7-5-6-16(2,3)15(14)17/h8-10,13-15H,5-7H2,1-4H3/t13-,14+,15-,17+/m0/s1",CC(=O)O[C@@H]1C=C(C=O)[C@H](C=O)[C@@]2(C)CCCC(C)(C)[C@H]12,C17H24O4,,292.167459248,ZKYNLPLNNYOIPE,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Dendrodoris arborescens,2875548.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Dendrodorididae'],['Unknown'],['Dendrodoris'],['Dendrodoris arborescens'],4,2,5.928581357002258
6587,2567,317,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.65631384,ISDB,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.125255346298218
6588,2567,317,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.65631384,ISDB,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Daphnia pulex,59086.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Diplostraca'],['Daphniidae'],['Unknown'],['Daphnia'],['Daphnia pulex'],2,3,6.125255346298218
6589,2567,317,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.65631384,ISDB,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],2,3,6.125255346298218
6590,2567,317,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.65631384,ISDB,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],2,3,6.125255346298218
6591,2567,317,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.65631384,ISDB,AUNGANRZJHBGPY-MBNYWOFBSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m1/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C,C17H20N4O6,,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Formica polyctena,815730.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Formicini'],['Formica'],['Formica polyctena'],2,3,6.125255346298218
6592,2567,317,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.65631384,ISDB,AUNGANRZJHBGPY-MBNYWOFBSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m1/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C,C17H20N4O6,,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Formica rufa,744114.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Formicini'],['Formica'],['Formica rufa'],2,3,6.125255346298218
6593,2567,317,Alkaloids,Pseudoalkaloids,pteridine alkaloids,0.65631384,ISDB,AUNGANRZJHBGPY-SCRDCRAPSA-N,"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1",Cc1cc2nc3c(O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C,C17H20N4O6,,376.13828436,AUNGANRZJHBGPY,Alkaloids,Pseudoalkaloids,pteridine alkaloids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.125255346298218
6594,2566,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.76011145,ISDB,SFIHQZFZMWZOJV-HZJYTTRNSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,1,3.5404458045959473
6595,2566,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.76011145,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],0,1,3.5404458045959473
6596,2563,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VKLDBMYPFIJALX-UHFFFAOYSA-N,"InChI=1S/C45H44O10/c1-17-6-8-24-19(3)41(50)54-37(24)30-26(17)16-27(46)44(30)15-14-43(52)12-11-25-20(4)42(51)55-38(25)33-32(43)34(44)39(48)45(33)13-10-22-7-9-23-18(2)40(49)53-36(23)28-21(5)35(47)31(45)29(22)28/h22-26,28,30,33,36-38,52H,1-16H2",C=C1C(=O)OC2C1CCC1CCC3(C(=O)C4=C5C3C3OC(=O)C(=C)C3CCC5(O)CCC43C(=O)CC4C(=C)CCC5C(=C)C(=O)OC5C43)C3=C1C2C(=C)C3=O,C45H44O10,pos_2_1proton1sodium,744.293447608,VKLDBMYPFIJALX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ainsliaea fulvipes,119452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Pertyeae'],['Ainsliaea'],['Ainsliaea fulvipes'],6,3,7.5
6597,2562,-1,,,,0.0,MS1_match,BSGPJBALTHTFJC-AOONZWGDSA-N,"InChI=1S/C32H46O7/c1-16(14-33)17(2)27(37)28(38)19(4)26-23(39-20(5)34)13-30(7)24-12-22(36)25-18(3)21(35)8-9-32(25)15-31(24,32)11-10-29(26,30)6/h8-9,16,18-19,22-26,28,33,36,38H,2,10-15H2,1,3-7H3/t16-,18+,19-,22+,23-,24-,25+,26-,28+,29+,30-,31-,32+/m0/s1",C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO,C32H46O7,pos_2MMg,542.3243538119999,BSGPJBALTHTFJC,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],6,0,6.0
6598,2561,-1,,,,0.0,MS1_match,OGFVGXHKWVSOCS-GTOCYKSNSA-N,"InChI=1S/C26H40O9/c1-8-15(2)13-20(29)34-22(17(4)14-19(27)28)21(30)23(31)26(7)12-10-18(35-26)25(5,6)11-9-16(3)24(32)33/h9,11,13,16-18,22-23,31H,8,10,12,14H2,1-7H3,(H,27,28)(H,32,33)/b11-9+,15-13+/t16?,17?,18-,22?,23+,26+/m0/s1",CC/C(C)=C/C(=O)OC(C(=O)[C@@H](O)[C@@]1(C)CC[C@@H](C(C)(C)/C=C/C(C)C(=O)O)O1)C(C)CC(=O)O,C26H40O9,pos_1_1sodium,496.26723286,OGFVGXHKWVSOCS,Polyketides,Linear polyketides,Open-chain polyketides,Stillingia lineata,86605.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Stillingia'],['Stillingia lineata'],6,0,6.0
6599,2559,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6624302,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.149720907211304
6600,2559,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6624302,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.149720907211304
6601,2558,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.48514232,ISDB,GRWHNBXHXKFRHQ-YOYBCKCWSA-N,"InChI=1S/C22H22O8/c1-28-20-12-16(4-9-19(20)25)6-11-22(27)30-14-18(24)13-29-21(26)10-5-15-2-7-17(23)8-3-15/h2-12,18,23-25H,13-14H2,1H3/b10-5+,11-6+",COc1cc(/C=C/C(=O)OCC(O)COC(=O)/C=C/c2ccc(O)cc2)ccc1O,C22H22O8,,414.131467664,GRWHNBXHXKFRHQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Juncus effusus,26727.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Juncaceae'],['Unknown'],['Juncus'],['Juncus effusus'],5,3,8.440569281578064
6602,2555,124,Fatty acids,Fatty amides,Primary amides,0.5750347,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],4,3,7.800138711929321
6603,2555,124,Fatty acids,Fatty amides,Primary amides,0.5750347,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Asparagus officinalis,748359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Asparagus'],['Asparagus officinalis'],4,3,7.800138711929321
6604,2555,124,Fatty acids,Fatty amides,Primary amides,0.5750347,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,7.800138711929321
6605,2555,124,Fatty acids,Fatty amides,Primary amides,0.5750347,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],4,3,7.800138711929321
6606,2555,124,Fatty acids,Fatty amides,Primary amides,0.5750347,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Cannabis sativa,84004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Cannabis'],['Cannabis sativa'],4,3,7.800138711929321
6607,2555,124,Fatty acids,Fatty amides,Primary amides,0.5750347,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],4,3,7.800138711929321
6608,2555,124,Fatty acids,Fatty amides,Primary amides,0.5750347,ISDB,HSEMFIZWXHQJAE-UHFFFAOYSA-N,"InChI=1S/C16H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H2,17,18)",CCCCCCCCCCCCCCCC(N)=O,C16H33NO,,255.256214676,HSEMFIZWXHQJAE,Fatty acids,Fatty amides,Primary amides,Annona glabra,209798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Annoneae'],['Annona'],['Annona glabra'],4,3,7.800138711929321
6609,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,3,8.5
6610,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,3,8.5
6611,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,3,8.5
6612,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,3,8.5
6613,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,3,8.5
6614,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
6615,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
6616,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,3,8.5
6617,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,3,8.5
6618,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
6619,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neopulchella,1060168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neopulchella'],7,3,8.5
6620,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neoserrata,1021278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neoserrata'],7,3,8.5
6621,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,3,8.5
6622,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus junonianus,404587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus junonianus'],7,3,8.5
6623,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
6624,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,3,8.5
6625,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea eopygmaea,869865.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea eopygmaea'],7,3,8.5
6626,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea brunneopilosa,410121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea brunneopilosa'],7,3,8.5
6627,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria crupinoides,1036515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria crupinoides'],7,3,8.5
6628,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
6629,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,3,8.5
6630,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
6631,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
6632,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
6633,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,3,8.5
6634,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,3,8.5
6635,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
6636,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XIVYFPUTCCJWCJ-ODIPTECFSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(19)6-11(8)14)23-16(20)17(12,21)7-22-10(3)18/h11-15,19,21H,1-2,4-7H2,3H3/t11-,12+,13-,14-,15-,17-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(COC(C)=O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,XIVYFPUTCCJWCJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
6637,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YMJVBIHHYVIDTP-OBMCMEANSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(20)6-11(8)14)22-16(21)17(12,7-18)23-10(3)19/h9,11-12,14-15,18H,1,4-7H2,2-3H3/t9-,11+,12-,14+,15+,17+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@@]2(CO)OC(C)=O)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,YMJVBIHHYVIDTP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
6638,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BYTQBLSQDIOEOZ-QENAKCEXSA-N,"InChI=1S/C17H22O6/c1-8-4-5-11-9(2)16(21)22-15(11)14-12(8)6-13(20)17(14,7-18)23-10(3)19/h9,11-12,14-15,18H,1,4-7H2,2-3H3/t9-,11-,12-,14-,15-,17+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@@]2(CO)OC(C)=O,C17H22O6,pos_1_1proton1acetonitrile,322.14163842399995,BYTQBLSQDIOEOZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
6639,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,SLZZSZNKFRLTEG-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-12(20)15-10(3)17(21)25-16(15)14-9(2)13(6-11(8)14)24-18(22)19(4)7-23-19/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)[C@]4(C)CO4)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,SLZZSZNKFRLTEG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,3,8.5
6640,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JZABCHJIEAEUQW-YJEUUXNWSA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-15(10)13-11(6-18)16(22-9(3)19)14(20)12(7)13/h10-16,18,20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15-,16+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](CO)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,JZABCHJIEAEUQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,3,8.5
6641,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JZABCHJIEAEUQW-YJEUUXNWSA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-15(10)13-11(6-18)16(22-9(3)19)14(20)12(7)13/h10-16,18,20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15-,16+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](CO)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,JZABCHJIEAEUQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,3,8.5
6642,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QIIYMTARGYHPHO-UAQNWJKASA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-16(10)13-11(6-22-9(3)18)14(19)15(20)12(7)13/h10-16,19-20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15+,16-/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,QIIYMTARGYHPHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,3,8.5
6643,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QIIYMTARGYHPHO-UAQNWJKASA-N,"InChI=1S/C17H22O6/c1-7-4-5-10-8(2)17(21)23-16(10)13-11(6-22-9(3)18)14(19)15(20)12(7)13/h10-16,19-20H,1-2,4-6H2,3H3/t10-,11-,12-,13-,14+,15+,16-/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]12,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,QIIYMTARGYHPHO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,3,8.5
6644,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,3,8.5
6645,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
6646,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
6647,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-NZLQQEQQSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
6648,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-RMCNWUJSSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
6649,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
6650,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
6651,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
6652,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
6653,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,3,8.5
6654,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
6655,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_1_1proton1ammonium,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
6656,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
6657,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
6658,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],7,3,8.5
6659,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
6660,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,3,8.5
6661,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,3,8.5
6662,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,3,8.5
6663,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,3,8.5
6664,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
6665,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea rhaponticoides,5537492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea rhaponticoides'],7,3,8.5
6666,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
6667,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea thracica,569822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea thracica'],7,3,8.5
6668,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,3,8.5
6669,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
6670,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
6671,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,3,8.5
6672,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
6673,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
6674,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,3,8.5
6675,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
6676,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
6677,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
6678,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
6679,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
6680,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
6681,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
6682,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
6683,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,3,8.5
6684,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
6685,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,3,8.5
6686,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,3,8.5
6687,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum serratuloides,385654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum serratuloides'],7,3,8.5
6688,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
6689,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,3,8.5
6690,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_1_1proton1ammonium,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
6691,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IRSYULSNVRLREI-OBMCMEANSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(14-9(2)13(19)6-11(8)14)23-16(20)17(12,21)7-22-10(3)18/h9,11-12,14-15,21H,1,4-7H2,2-3H3/t9-,11+,12-,14+,15+,17+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)COC(C)=O)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,IRSYULSNVRLREI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
6692,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
6693,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
6694,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,3,8.5
6695,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
6696,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea lipschitzii,7612463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea lipschitzii'],7,3,8.5
6697,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia adenosticta,368326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia adenosticta'],7,3,8.5
6698,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
6699,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,3,8.5
6700,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea ptosimopappoides,49199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ptosimopappoides'],7,3,8.5
6701,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
6702,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,3,8.5
6703,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,3,8.5
6704,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,3,8.5
6705,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,3,8.5
6706,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
6707,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
6708,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IFMWZCXMVNSDEW-UHFFFAOYSA-N,"InChI=1S/C17H22O6/c1-8-4-5-12-15(23-16(20)17(12,21)7-18)14-9(2)13(6-11(8)14)22-10(3)19/h11-15,18,21H,1-2,4-7H2,3H3",C=C1CCC2C(OC(=O)C2(O)CO)C2C(=C)C(OC(C)=O)CC12,C17H22O6,pos_1_1proton1acetonitrile,322.141638424,IFMWZCXMVNSDEW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
6709,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,3,8.5
6710,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurothamnus maximus,879499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurothamnus'],['Centaurothamnus maximus'],7,3,8.5
6711,2553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_1_1proton1ammonium,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
6712,2549,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7167163,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,1,7.366865158081055
6713,2549,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7167163,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,7.366865158081055
6714,2549,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7167163,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,1,7.366865158081055
6715,2549,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7167163,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,1,7.366865158081055
6716,2549,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7167163,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,1,7.366865158081055
6717,2549,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7167163,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,1,7.366865158081055
6718,2547,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1sodium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
6719,2547,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SBKHBPAOTDHFBN-MXGUJTDSSA-N,"InChI=1S/C18H24O11/c1-7(20)26-5-8-2-3-9-10(16(24)25)6-27-17(12(8)9)29-18-15(23)14(22)13(21)11(4-19)28-18/h6,9,11,13-15,17-19,21-23H,2-5H2,1H3,(H,24,25)/t9-,11-,13-,14+,15-,17+,18+/m1/s1",CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1,C18H24O11,pos_1_1sodium,416.1318615879998,SBKHBPAOTDHFBN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
6720,2546,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.75191665,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],1,1,4.50766658782959
6721,2545,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.679265,ISDB,CJBDUOMQLFKVQC-UHFFFAOYSA-N,"InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)",O=C(O)CCc1ccccc1O,C9H10O3,,166.06299418,CJBDUOMQLFKVQC,Shikimates and Phenylpropanoids,,,Justicia pectoralis,7054014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Justicieae'],['Justicia'],['Justicia pectoralis'],5,1,8.217060089111328
6722,2544,-1,,,,0.41781807,ISDB,SHLWEZVZPAYIHX-PVCYYESGSA-N,"InChI=1S/C30H44O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18,21-22H,9-17H2,1-7H3,(H,32,33)/t18-,21-,22+,27-,28+,29+,30-/m0/s1",CC1=C2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@@H]1C,C30H44O3,,452.329045268,SHLWEZVZPAYIHX,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Symplocos racemosa,5507837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Symplocaceae'],['Unknown'],['Symplocos'],['Symplocos racemosa'],4,0,5.671272277832031
6723,2540,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_1_1proton1acetonitrile,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Limnophila repens,6072982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Limnophila'],['Limnophila repens'],6,0,6.0
6724,2540,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_1_1proton1acetonitrile,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Conobea scoparioides,6072828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Conobea'],['Conobea scoparioides'],6,0,6.0
6725,2538,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.72263205,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.390528202056885
6726,2538,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.72263205,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.390528202056885
6727,2535,-1,,,,0.0,MS1_match,ALVBKAVOAAMXPJ-DTIJCOPBSA-N,"InChI=1S/C34H42O10/c1-8-25(37)44-27-19(4)16-34(39)26(27)29(41-20(5)35)33-17-40-32(7,31(34)42-21(6)36)28(33)23(18(2)3)14-15-24(33)43-30(38)22-12-10-9-11-13-22/h9-15,19,23-24,26-29,31,39H,2,8,16-17H2,1,3-7H3/t19-,23+,24+,26+,27-,28-,29+,31-,32+,33+,34+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(C)=O)[C@@]4(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13,C34H42O10,pos_1_1proton1ammonium,610.277797544,ALVBKAVOAAMXPJ,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia seguieri,535720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia seguieriana'],8,0,8.0
6728,2535,-1,,,,0.0,MS1_match,ALVBKAVOAAMXPJ-DTIJCOPBSA-N,"InChI=1S/C34H42O10/c1-8-25(37)44-27-19(4)16-34(39)26(27)29(41-20(5)35)33-17-40-32(7,31(34)42-21(6)36)28(33)23(18(2)3)14-15-24(33)43-30(38)22-12-10-9-11-13-22/h9-15,19,23-24,26-29,31,39H,2,8,16-17H2,1,3-7H3/t19-,23+,24+,26+,27-,28-,29+,31-,32+,33+,34+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(C)=O)[C@@]4(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13,C34H42O10,pos_1_1proton1ammonium,610.277797544,ALVBKAVOAAMXPJ,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia seguieriana,535720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia seguieriana'],8,0,8.0
6729,2535,-1,,,,0.0,MS1_match,SMODPQVIXJFPAU-YKTIBSJUSA-N,"InChI=1S/C34H42O10/c1-17-15-34-31(42-22(6)37)18(2)16-33(34,44-34)30(39)19(3)28(41-21(5)36)25-26(32(25,7)8)29(27(17)40-20(4)35)43-24(38)14-23-12-10-9-11-13-23/h9-13,15,18-19,25-29,31H,14,16H2,1-8H3/b17-15+/t18-,19-,25-,26+,27+,28+,29+,31-,33-,34-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)Cc3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C34H42O10,pos_1_1proton1ammonium,610.277797544,SMODPQVIXJFPAU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],8,0,8.0
6730,2535,-1,,,,0.0,MS1_match,OQJBEOJYSRSTNP-WBTAYDDBSA-N,"InChI=1S/C34H42O10/c1-17-15-34-31(43-24(38)14-23-12-10-9-11-13-23)18(2)16-33(34,44-34)30(39)19(3)28(41-21(5)36)25-26(32(25,7)8)29(42-22(6)37)27(17)40-20(4)35/h9-13,15,18-19,25-29,31H,14,16H2,1-8H3/b17-15+/t18-,19+,25-,26+,27+,28-,29-,31-,33-,34-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(=O)Cc3ccccc3)C(=O)[C@@H]1C)C2(C)C,C34H42O10,pos_1_1proton1ammonium,610.277797544,OQJBEOJYSRSTNP,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia officinarum,326310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia officinarum'],8,0,8.0
6731,2535,-1,,,,0.0,MS1_match,KJHHTJXGVMJCAT-IVVBZFEXSA-N,"InChI=1S/C30H44O10/c1-9-10-13-37-26-23-24(38-18(5)32)17(4)14-30(23,40-20(7)34)27(36)28(8,39-19(6)33)25-21(16(2)3)11-12-22(35)29(25,26)15-31/h11-12,17,21-26,31,35H,2,9-10,13-15H2,1,3-8H3/t17-,21+,22+,23+,24-,25-,26+,28-,29+,30+/m0/s1",C=C(C)[C@H]1C=C[C@@H](O)[C@@]2(CO)[C@H](OCCCC)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@](C)(OC(C)=O)[C@H]12,C30H44O10,pos_1_1sodium1acetonitrile,564.293447608,KJHHTJXGVMJCAT,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],8,0,8.0
6732,2535,-1,,,,0.0,MS1_match,KJHHTJXGVMJCAT-IVVBZFEXSA-N,"InChI=1S/C30H44O10/c1-9-10-13-37-26-23-24(38-18(5)32)17(4)14-30(23,40-20(7)34)27(36)28(8,39-19(6)33)25-21(16(2)3)11-12-22(35)29(25,26)15-31/h11-12,17,21-26,31,35H,2,9-10,13-15H2,1,3-8H3/t17-,21+,22+,23+,24-,25-,26+,28-,29+,30+/m0/s1",C=C(C)[C@H]1C=C[C@@H](O)[C@@]2(CO)[C@H](OCCCC)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@](C)(OC(C)=O)[C@H]12,C30H44O10,pos_1_1sodium1acetonitrile,564.293447608,KJHHTJXGVMJCAT,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],8,0,8.0
6733,2535,-1,,,,0.0,MS1_match,JHVUJNLMTIOWKU-ONDMABSBSA-N,"InChI=1S/C34H45NO10/c1-18(2)31(39)44-28-21(5)16-34(41)26(28)27(43-23(7)37)20(4)15-25(42-22(6)36)30(33(8,9)13-12-19(3)29(34)38)45-32(40)24-11-10-14-35-17-24/h10-14,17-19,21,25-28,30,41H,4,15-16H2,1-3,5-9H3/b13-12+/t19-,21-,25+,26-,27-,28-,30+,34+/m0/s1",C=C1C[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]2[C@H]1OC(C)=O,C34H45NO10,pos_1_1proton,627.30434664,JHVUJNLMTIOWKU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia characias,864034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia characias'],8,0,8.0
6734,2535,-1,,,,0.0,MS1_match,XEHGURCLCKEXKP-ONDMABSBSA-N,"InChI=1S/C34H45NO10/c1-18(2)31(40)43-28-21(5)16-34(45-23(7)37)26(28)27(38)20(4)15-25(42-22(6)36)30(33(8,9)13-12-19(3)29(34)39)44-32(41)24-11-10-14-35-17-24/h10-14,17-19,21,25-28,30,38H,4,15-16H2,1-3,5-9H3/b13-12+/t19-,21-,25+,26-,27-,28-,30+,34+/m0/s1",C=C1C[C@@H](OC(C)=O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]2[C@H]1O,C34H45NO10,pos_1_1proton,627.30434664,XEHGURCLCKEXKP,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia characias,864034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia characias'],8,0,8.0
6735,2534,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WGIMZJFXUGTVFX-STPOGHIWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20+,22+,24-,25+,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.147905576,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,1,6.5
6736,2534,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WGIMZJFXUGTVFX-FLCGOUAWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9+,19+,20-,22-,24-,25+,26-,27+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@@H](C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.1479055759999,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,1,6.5
6737,2534,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WGIMZJFXUGTVFX-STPOGHIWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20+,22+,24-,25+,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.147905576,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,1,6.5
6738,2534,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WGIMZJFXUGTVFX-FLCGOUAWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9+,19+,20-,22-,24-,25+,26-,27+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@@H](C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.1479055759999,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,1,6.5
6739,2534,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GKLSYIMLZDYQBJ-CGOKOBCESA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3/t8-,9+,19+,22-,23+,24-,25+,26-,27+/m0/s1",C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)C1=O,C27H28O14,pos_1_1proton,576.1479055759999,GKLSYIMLZDYQBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,1,6.5
6740,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
6741,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum crispum,494840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crispum'],8,0,8.0
6742,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
6743,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
6744,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
6745,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0
6746,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0
6747,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
6748,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0
6749,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0
6750,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
6751,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
6752,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
6753,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0
6754,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0
6755,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
6756,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum chrysotrichum,939579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chrysotrichum'],8,0,8.0
6757,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum crispum,494840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crispum'],8,0,8.0
6758,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
6759,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum crispum,494840.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crispum'],8,0,8.0
6760,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-UHFFFAOYSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3",CCC(CCC(C)C1CCC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0
6761,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
6762,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
6763,2532,-1,,,,0.0,MS1_match,NPJICTMALKLTFW-OFUAXYCQSA-N,"InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C35H60O6,pos_1_1potassium,576.43898964,NPJICTMALKLTFW,Terpenoids,Steroids,Stigmastane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0
6764,2531,-1,,,,0.42230648,ISDB,LXQIGOPEYPYPQE-VLYVGLJQSA-N,"InChI=1S/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18,22-24,26-27,31,33H,7,9-10,13,15-17H2,1-3H3,(H,30,34)/b14-8+/t18-,22-,23+,24+,26+,27-,29-/m1/s1",CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)CC[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O,C29H39NO5,,481.282823348,LXQIGOPEYPYPQE,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Phoma,197743.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Didymellaceae'],['Unknown'],['Phoma'],['Unknown'],1,0,2.689225912094116
6765,2531,-1,,,,0.42230648,ISDB,LXQIGOPEYPYPQE-UHFFFAOYSA-N,"InChI=1S/C29H39NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14,18,22-24,26-27,31,33H,7,9-10,13,15-17H2,1-3H3,(H,30,34)",CC1=C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)CCC(O)CCCC(C)CC=CC3C1O,C29H39NO5,,481.282823348,LXQIGOPEYPYPQE,Alkaloids,Pseudoalkaloids,Cytochalasan alkaloids,Plagiostoma,822581.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Gnomoniaceae'],['Unknown'],['Plagiostoma'],['Unknown'],1,0,2.689225912094116
6766,2529,-1,,,,0.0,MS1_match,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,pos_2MHNH3,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Drymaria cordata,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],6,0,6.0
6767,2529,-1,,,,0.0,MS1_match,RKMQRPYLPSKVNS-UHFFFAOYSA-N,"InChI=1S/C6H10O4/c1-10-6(9)3-2-5(8)4-7/h7H,2-4H2,1H3",COC(=O)CCC(=O)CO,C6H10O4,pos_2MHNH3,146.0579088,RKMQRPYLPSKVNS,Fatty acids,Fatty Acids and Conjugates,,Drymaria diandra,182465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Polycarpaeae'],['Drymaria'],['Drymaria cordata'],6,0,6.0
6768,2529,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-GIBQNNFTSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C12H20O8,pos_1_1proton1ammonium,292.1158176,SCLGLFRXJNHKQZ,,,,Saponaria officinalis,842209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Saponaria'],['Saponaria officinalis'],6,0,6.0
6769,2529,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,pos_1_1proton1ammonium,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus deltoides,188564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus deltoides'],6,0,6.0
6770,2529,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,pos_1_1proton1ammonium,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus barbatus,590078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus barbatus'],6,0,6.0
6771,2529,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-FYKVHUBJSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1",C[C@H]1OC=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,pos_1_1proton1ammonium,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus longicalyx,904393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus longicalyx'],6,0,6.0
6772,2528,946,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.6598059,ISDB,ZVLOTIBMQHGIML-MJDBTJCESA-N,"InChI=1S/C15H18O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h6-7,10-13,17H,1-2,4-5H2,3H3/t10-,11-,12-,13-,15+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C=C[C@@]2(C)O,C15H18O3,,246.125594436,ZVLOTIBMQHGIML,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Eriocephalus kingesii,7596676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Eriocephalus'],['Eriocephalus kingesii'],4,3,8.139223575592041
6773,2528,946,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.6598059,ISDB,ZVLOTIBMQHGIML-HYFYGGESSA-N,"InChI=1S/C15H18O3/c1-8-4-5-11-9(2)14(16)18-13(11)12-10(8)6-7-15(12,3)17/h6-7,10-13,17H,1-2,4-5H2,3H3/t10-,11+,12+,13+,15-/m1/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C=C[C@@]2(C)O,C15H18O3,,246.125594436,ZVLOTIBMQHGIML,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Schistostephium umbellatum,1019562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Schistostephium'],['Schistostephium umbellatum'],4,3,8.139223575592041
6774,2525,92,Alkaloids,Lignans,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-SDBHATRESA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1",CC(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6775,2525,92,Alkaloids,Lignans,Purine alkaloids,0.0,MS1_match,GOSWTRUMMSCNCW-SDBHATRESA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1",CC(=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1isopropanol,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
6776,2524,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.65837735,ISDB,TVHWZFSMYZPWDT-OCCSQVGLSA-N,"InChI=1S/C14H16O2/c1-9(2)12-7-13-10(6-14(12)16)4-3-5-11(13)8-15/h3-5,8,12,14,16H,1,6-7H2,2H3/t12-,14+/m1/s1",C=C(C)[C@H]1Cc2c(C=O)cccc2C[C@@H]1O,C14H16O2,,216.115029752,TVHWZFSMYZPWDT,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia przewalskii,619955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia przewalskii'],6,2,9.633509397506714
6777,2518,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
6778,2518,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QOPSZFXPZWQLOG-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-5-7(1-3-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C15H18O9,pos_1_1proton1ethylamine,342.0950821559999,QOPSZFXPZWQLOG,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
6779,2518,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ethylamine,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
6780,2518,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ethylamine,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
6781,2518,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OHEYCHKLBCPRLZ-UHFFFAOYSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)",O=C(O)C=Cc1ccc(OC2OC(CO)C(O)C(O)C2O)c(O)c1,C15H18O9,pos_1_1proton1ethylamine,342.095082156,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
6782,2517,420,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,0.0,MS1_match,CJEDZZYFRNGSKM-UHFFFAOYSA-N,"InChI=1S/C7H14N2/c8-4-3-7-9-5-1-2-6-9/h1,5H,2-4,6-8H2",NCCCN1C=CCC1,C7H14N2,pos_2MK,126.115698448,CJEDZZYFRNGSKM,Alkaloids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6783,2515,-1,,,,0.6665554,ISDB,HYNVCGWXNJDHLB-HNBZJPLGSA-N,"InChI=1S/C13H15NO5/c1-7-12(10(16)6-11(17)18)14-13(19-7)8-4-2-3-5-9(8)15/h2-5,7,10,12,15-16H,6H2,1H3,(H,17,18)/t7-,10+,12+/m0/s1",C[C@@H]1OC(c2ccccc2O)=N[C@H]1[C@H](O)CC(=O)O,C13H15NO5,,265.09502258,HYNVCGWXNJDHLB,,,,Leptolyngbya,757914.0,['Bacteria'],['Unknown'],['Cyanobacteria'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Leptolyngbya'],['Unknown'],0,0,2.6662216186523438
6784,2513,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HAFGKVOAGMMHTR-QAUDVVSPSA-N,"InChI=1S/C15H20O8/c1-7(16)21-12-10-4-5-19-14-11(10)15(6-20-14,23-9(3)18)13(12)22-8(2)17/h10-14H,4-6H2,1-3H3/t10-,11-,12+,13-,14-,15-/m1/s1",CC(=O)O[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](OC(C)=O)([C@@H]32)[C@@H]1OC(C)=O,C15H20O8,pos_1_1proton1ammonium,328.1158176,HAFGKVOAGMMHTR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza kurrooa,715540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Picrorhiza'],['Picrorhiza kurrooa'],7,1,7.5
6785,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-QUCXHVEGSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
6786,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,0,8.0
6787,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,0,8.0
6788,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,0,8.0
6789,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,0,8.0
6790,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-QUCXHVEGSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
6791,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,0,8.0
6792,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,0,8.0
6793,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,0,8.0
6794,2509,-1,,,,0.0,MS1_match,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,pos_1_1sodium,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,0,8.0
6795,2507,-1,,,,0.46801528,ISDB,OMYRBCZBTQDJHF-RFYAXJIXSA-N,"InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H31NO2,,293.235479232,OMYRBCZBTQDJHF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],1,0,2.8720611333847046
6796,2507,-1,,,,0.46801528,ISDB,OMYRBCZBTQDJHF-RFYAXJIXSA-N,"InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H31NO2,,293.235479232,OMYRBCZBTQDJHF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],1,0,2.8720611333847046
6797,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea macrota,733905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella auriculata'],7,0,7.0
6798,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea macrota,733905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella auriculata'],7,0,7.0
6799,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
6800,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-WRMVBYCNSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Centaurea arenaria,5794852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea arenaria'],7,0,7.0
6801,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6802,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Carduus tenuiflorus,655353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus tenuiflorus'],7,0,7.0
6803,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_2MFe,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
6804,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
6805,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_2MFe,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
6806,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_2MFe,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
6807,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-UHFFFAOYSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3",COc1cc(C2OCC3C(c4cc(OC)c(O)c(OC)c4)OCC23)cc(OC)c1O,C22H26O8,pos_2MFe,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
6808,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-WRMVBYCNSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.1627677919999,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Centaurea arenaria,5794852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea arenaria'],7,0,7.0
6809,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
6810,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6811,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Carduus tenuiflorus,655353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus tenuiflorus'],7,0,7.0
6812,2506,-1,,,,0.0,MS1_match,KOWMJRJXZMEZLD-HCIHMXRSSA-N,"InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)cc(OC)c1O,C22H26O8,pos_2MFe,418.162767792,KOWMJRJXZMEZLD,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6813,2504,193,Shikimates and Phenylpropanoids,Lignans,Isoflavones,0.0,MS1_match,PIUYQFXGNHWGBD-JTLUYSSBSA-N,"InChI=1S/C23H24O12/c1-31-14-3-9(11-8-33-13-6-10(25)5-12(26)17(13)18(11)27)4-15(22(14)32-2)34-23-21(30)20(29)19(28)16(7-24)35-23/h3-6,8,16,19-21,23-26,28-30H,7H2,1-2H3/t16-,19-,20+,21-,23-/m1/s1",COc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OC,C23H24O12,pos_2_2proton2acetonitrile,492.1267762079999,PIUYQFXGNHWGBD,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Ceiba pentandra,987976.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Ceiba'],['Ceiba pentandra'],6,3,7.5
6814,2502,445,Shikimates and Phenylpropanoids,Anthranilic acid alkaloids,Flavans,0.0,MS1_match,MKMCJLMBVKHUMS-UHFFFAOYSA-N,"InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)",COc1ccc2nc(O)oc2c1,C8H7NO3,pos_1_1proton,165.042593084,MKMCJLMBVKHUMS,Shikimates and Phenylpropanoids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
6815,2501,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.24620229,ISDB,JCWQENUEJOVTIV-YHPRMOQLSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-13-7-10(4)15-14(13)9(3)6-12(20)16-11(5)19(22)24-17(15)16/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14+,15-,16+,17+/m0/s1",C=C1C[C@H](OC(=O)C(C)C)[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C19H24O5,,332.162373868,JCWQENUEJOVTIV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,9.484809160232544
6816,2501,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.24620229,ISDB,JCWQENUEJOVTIV-YHPRMOQLSA-N,"InChI=1S/C19H24O5/c1-8(2)18(21)23-13-7-10(4)15-14(13)9(3)6-12(20)16-11(5)19(22)24-17(15)16/h8,12-17,20H,3-7H2,1-2H3/t12-,13-,14+,15-,16+,17+/m0/s1",C=C1C[C@H](OC(=O)C(C)C)[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C19H24O5,,332.162373868,JCWQENUEJOVTIV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,9.484809160232544
6817,2499,-1,,,,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1sodium,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6818,2499,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-RQUKQETFSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6819,2499,-1,,,,0.0,MS1_match,PEFNSGRTCBGNAN-RQUKQETFSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6820,2499,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6821,2499,-1,,,,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1sodium,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6822,2498,12,Terpenoids,Diterpenoids,Labdane diterpenoids,0.6958777,ISDB,UKAWDTYXZVAWRD-OXOGUAQRSA-N,"InChI=1S/C23H38O3/c1-9-15(2)11-12-16-22(7)14-10-13-20(3,4)18(22)17-19(23(16,8)24)26-21(5,6)25-17/h9,11,16-19,24H,1,10,12-14H2,2-8H3/b15-11+/t16-,17-,18+,19+,22-,23+/m0/s1",C=C/C(C)=C/C[C@@H]1[C@@](C)(O)[C@@H]2OC(C)(C)O[C@H]2[C@@H]2C(C)(C)CCC[C@]21C,C23H38O3,,362.282095076,UKAWDTYXZVAWRD,Terpenoids,Diterpenoids,Labdane diterpenoids,Croton glabellus,464511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton glabellus'],1,3,5.283510684967041
6823,2497,111,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.48704007,ISDB,MBRLTZVQXZDRBC-JOCHJYFZSA-N,"InChI=1S/C22H48NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-27-20-22(24)21-29-30(25,26)28-19-17-23(2,3)4/h22,24H,5-21H2,1-4H3/t22-/m1/s1",CCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C22H48NO6P,,453.321924886,MBRLTZVQXZDRBC,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Marphysa sanguinea,42379.0,['Eukaryota'],['Metazoa'],['Annelida'],['Polychaeta'],['Eunicida'],['Eunicidae'],['Unknown'],['Marphysa'],['Marphysa sanguinea'],0,3,3.4481602907180786
6824,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,3,9.5
6825,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
6826,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,3,9.5
6827,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
6828,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
6829,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
6830,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,3,9.5
6831,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
6832,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
6833,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
6834,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
6835,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
6836,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,3,9.5
6837,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
6838,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
6839,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
6840,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,3,9.5
6841,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
6842,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,3,9.5
6843,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
6844,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
6845,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
6846,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
6847,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,3,9.5
6848,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
6849,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,3,9.5
6850,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
6851,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
6852,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
6853,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
6854,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,3,9.5
6855,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
6856,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
6857,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,3,9.5
6858,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,3,9.5
6859,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
6860,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
6861,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,3,9.5
6862,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
6863,2496,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
6864,2494,58,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.26860604,ISDB,JYLXRDJEJNXLAL-NADQLLQKSA-N,"InChI=1S/C29H41NO3/c1-16-12-27(32)28(30-15-16)18(3)22-8-9-23-24-7-6-20-13-21(33-19(4)31)10-11-29(20,5)26(24)14-25(23)17(22)2/h6,8-9,16,18,21,24,26-28,30,32H,7,10-15H2,1-5H3/t16-,18-,21-,24-,26-,27+,28-,29-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3c4ccc([C@H](C)[C@@H]5NC[C@@H](C)C[C@H]5O)c(C)c4C[C@@H]32)C1,C29H41NO3,,451.3086441719999,JYLXRDJEJNXLAL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Veratrum nigrum,290488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Melanthiaceae'],['Unknown'],['Veratrum'],['Veratrum nigrum'],0,3,2.574424147605896
6865,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1potassium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,3,7.5
6866,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1potassium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,3,7.5
6867,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1potassium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon albidus,34986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albidus'],6,3,7.5
6868,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1potassium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,3,7.5
6869,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1potassium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,3,7.5
6870,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1potassium,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon albidus,34986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albidus'],6,3,7.5
6871,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OOJZWXCTDBXCJY-DAFIZWGFSA-N,"InChI=1S/C15H24O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h3,7-21H,1-2,4-5H2/t7-,8-,9+,10+,11-,12-,13+,14-,15+/m0/s1",OCC1=C[C@H](O)[C@@H]2CCO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O9,pos_1_1potassium,348.142032348,OOJZWXCTDBXCJY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago subulata,185894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago subulata'],6,3,7.5
6872,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PVNCIZYCWIYOJP-DOPINODRSA-N,"InChI=1S/C15H24O9/c1-5-8-6(10(18)9(5)17)2-3-22-14(8)24-15-13(21)12(20)11(19)7(4-16)23-15/h2-3,5-21H,4H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12-,13+,14-,15-/m0/s1",C[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O9,pos_1_1potassium,348.142032348,PVNCIZYCWIYOJP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,3,7.5
6873,2491,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SVKAKAGCTFQHGA-HXHBHVAVSA-N,"InChI=1S/C15H24O9/c1-15(21)8(17)4-6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)7(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8-,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@@]1(O)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2C[C@@H]1O,C15H24O9,pos_1_1potassium,348.142032348,SVKAKAGCTFQHGA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,3,7.5
6874,2490,-1,,,,0.0,MS1_match,MODAISDAHGURPG-JHBHRJNASA-N,"InChI=1S/C20H26O7/c1-12(6-7-21)19(24)26-16-8-14(10-22)4-3-5-15(11-23)9-17-18(16)13(2)20(25)27-17/h4,6,9,16-18,21-23H,2-3,5,7-8,10-11H2,1H3/b12-6-,14-4-,15-9-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(C)=C\CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,MODAISDAHGURPG,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea albicaulis,741651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea albicaulis'],7,0,7.0
6875,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-UHFFFAOYSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3",C=C(C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(=C)C21)C(O)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea benedicta,821531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea benedicta'],7,0,7.0
6876,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-NXZIYWCUSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17-,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea attica,391030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea graeca'],7,0,7.0
6877,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea alexandrina,749110.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alexandrina'],7,0,7.0
6878,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea deusta,720460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deusta'],7,0,7.0
6879,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aegialophila,914194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aegialophila'],7,0,7.0
6880,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea diffusa,331371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea diffusa'],7,0,7.0
6881,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
6882,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paniculata,735135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paniculata'],7,0,7.0
6883,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-YBNUWZKKSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8?/t15?,16-,17+,18+/m0/s1",C=C(C(=O)O[C@H]1C/C(C)=C\CCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12)C(O)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea fragilis,3894151.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea fragilis'],7,0,7.0
6884,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
6885,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea tougourensis,3894115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea tougourensis'],7,0,7.0
6886,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],7,0,7.0
6887,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea granatensis,729072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea granatensis'],7,0,7.0
6888,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea bombycina,662748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea bombycina'],7,0,7.0
6889,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea maroccana,3894184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maroccana'],7,0,7.0
6890,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,0,7.0
6891,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,0,7.0
6892,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sulphurea,539756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sulphurea'],7,0,7.0
6893,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
6894,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
6895,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea orphanidea,3894141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea orphanidea'],7,0,7.0
6896,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-NXZIYWCUSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17-,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea australis,337140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus chilensis'],7,0,7.0
6897,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-NXZIYWCUSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17-,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea stoebe,409449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea stoebe'],7,0,7.0
6898,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-UHFFFAOYSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3",C=C(C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(=C)C21)C(O)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cnicus benedictus,821531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea benedicta'],7,0,7.0
6899,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-UHFFFAOYSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3",C=C(C(=O)OC1CC(C)=CCCC(CO)=CC2OC(=O)C(=C)C21)C(O)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,0,7.0
6900,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-XFNMEUKGSA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14-,15+,16+,17-,20+/m0/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,0,7.0
6901,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea attica,391030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea graeca'],7,0,7.0
6902,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
6903,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-WFFLBGQYSA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16?,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2C1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea tougourensis,3894115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea tougourensis'],7,0,7.0
6904,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6905,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
6906,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-XFNMEUKGSA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14-,15+,16+,17-,20+/m0/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea spinosa,569818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea spinosa'],7,0,7.0
6907,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-XFNMEUKGSA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14-,15+,16+,17-,20+/m0/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,0,7.0
6908,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea attica,391030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea graeca'],7,0,7.0
6909,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
6910,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
6911,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-WFFLBGQYSA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16?,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2C1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea tougourensis,3894115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea tougourensis'],7,0,7.0
6912,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
6913,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-XFNMEUKGSA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14-,15+,16+,17-,20+/m0/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea spinosa,569818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea spinosa'],7,0,7.0
6914,2490,-1,,,,0.0,MS1_match,KTIMAJCYRZCUKX-BHHKXUDRSA-N,"InChI=1S/C20H26O7/c1-3-15(11-23)20(25)27-17-8-14(10-22)6-4-5-13(9-21)7-16-18(17)12(2)19(24)26-16/h3,6-7,16-18,21-23H,2,4-5,8-11H2,1H3/b13-7-,14-6-,15-3-/t16-,17+,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(=C\C)CO)[C@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KTIMAJCYRZCUKX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea moschus,7052153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea moschus'],7,0,7.0
6915,2490,-1,,,,0.0,MS1_match,KTIMAJCYRZCUKX-BHHKXUDRSA-N,"InChI=1S/C20H26O7/c1-3-15(11-23)20(25)27-17-8-14(10-22)6-4-5-13(9-21)7-16-18(17)12(2)19(24)26-16/h3,6-7,16-18,21-23H,2,4-5,8-11H2,1H3/b13-7-,14-6-,15-3-/t16-,17+,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(=C\C)CO)[C@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KTIMAJCYRZCUKX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinella moschus,519450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinella'],['Jurinella moschus'],7,0,7.0
6916,2490,-1,,,,0.0,MS1_match,LLQFQSPYTBILCD-CREJLFHUSA-N,"InChI=1S/C20H26O7/c1-5-13(9-22)19(25)26-14-7-20(6-2,10-23)16(11(3)8-21)17-15(14)12(4)18(24)27-17/h5-6,14-17,21-23H,2-4,7-10H2,1H3/b13-5-/t14-,15+,16+,17-,20+/m0/s1",C=C[C@]1(CO)C[C@H](OC(=O)/C(=C\C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,LLQFQSPYTBILCD,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Jurinella moschus,519450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinella'],['Jurinella moschus'],7,0,7.0
6917,2490,-1,,,,0.0,MS1_match,LLQFQSPYTBILCD-CREJLFHUSA-N,"InChI=1S/C20H26O7/c1-5-13(9-22)19(25)26-14-7-20(6-2,10-23)16(11(3)8-21)17-15(14)12(4)18(24)27-17/h5-6,14-17,21-23H,2-4,7-10H2,1H3/b13-5-/t14-,15+,16+,17-,20+/m0/s1",C=C[C@]1(CO)C[C@H](OC(=O)/C(=C\C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,LLQFQSPYTBILCD,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Jurinea moschus,7052153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea moschus'],7,0,7.0
6918,2490,-1,,,,0.0,MS1_match,SWSYWSBUAYFIGX-QJNHJRHGSA-N,"InChI=1S/C20H26O7/c1-10(9-21)8-13(22)25-16-14-12(3)19(24)26-17(14)18-20(4,27-18)7-5-6-11(2)15(16)23/h6,8,14-18,21,23H,3,5,7,9H2,1-2,4H3/b10-8+,11-6+/t14-,15+,16-,17+,18+,20-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C=C(\C)CO)[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C20H26O7,pos_1_1proton1ethylamine,378.167853172,SWSYWSBUAYFIGX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus coronopifolius,1036517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus coronopifolius'],7,0,7.0
6919,2490,-1,,,,0.0,MS1_match,MODAISDAHGURPG-JHBHRJNASA-N,"InChI=1S/C20H26O7/c1-12(6-7-21)19(24)26-16-8-14(10-22)4-3-5-15(11-23)9-17-18(16)13(2)20(25)27-17/h4,6,9,16-18,21-23H,2-3,5,7-8,10-11H2,1H3/b12-6-,14-4-,15-9-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(C)=C\CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,MODAISDAHGURPG,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea multiflora,772565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea multiflora'],7,0,7.0
6920,2490,-1,,,,0.0,MS1_match,AKGWYUNNEJSHAZ-NYLIRDPKSA-N,"InChI=1S/C20H26O7/c1-9-5-15(26-19(23)10(2)7-21)17-13(8-25-4)20(24)27-18(17)16-11(3)14(22)6-12(9)16/h12-18,21-22H,1-3,5-8H2,4H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1",C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@H]2[C@@H]2OC(=O)[C@H](COC)[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.167853172,AKGWYUNNEJSHAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
6921,2490,-1,,,,0.0,MS1_match,AKGWYUNNEJSHAZ-NYLIRDPKSA-N,"InChI=1S/C20H26O7/c1-9-5-15(26-19(23)10(2)7-21)17-13(8-25-4)20(24)27-18(17)16-11(3)14(22)6-12(9)16/h12-18,21-22H,1-3,5-8H2,4H3/t12-,13-,14-,15-,16-,17+,18+/m1/s1",C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@H]2[C@@H]2OC(=O)[C@H](COC)[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.167853172,AKGWYUNNEJSHAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
6922,2490,-1,,,,0.0,MS1_match,KUOSLPBZDWVFER-FPEUBTHASA-N,"InChI=1S/C20H26O7/c1-6-20(5)7-14(26-18(24)11(3)13(23)9-22)15-12(4)19(25)27-17(15)16(20)10(2)8-21/h6,13-17,21-23H,1-4,7-9H2,5H3/t13-,14+,15-,16-,17+,20-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,KUOSLPBZDWVFER,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6923,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea arenaria,5794852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea arenaria'],7,0,7.0
6924,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea monticola,88512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea monticola'],7,0,7.0
6925,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea spinosa,569818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea spinosa'],7,0,7.0
6926,2490,-1,,,,0.0,MS1_match,SUXRDYUTTDFKDJ-BXDRXQDJSA-N,"InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5+,13-6+/t14-,15+,16-,17+,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C/CO)CO)C/C(C)=C/CC[C@@]1(C)O[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,SUXRDYUTTDFKDJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6927,2490,-1,,,,0.0,MS1_match,SUXRDYUTTDFKDJ-ULWOQNSBSA-N,"InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5-,13-6+/t14-,15+,16-,17+,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C/CO)CO)C/C(C)=C\CC[C@@]1(C)O[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.167853172,SUXRDYUTTDFKDJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus coronopifolius,1036517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus coronopifolius'],7,0,7.0
6928,2490,-1,,,,0.0,MS1_match,SUXRDYUTTDFKDJ-BXDRXQDJSA-N,"InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5+,13-6+/t14-,15+,16-,17+,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C/CO)CO)C/C(C)=C/CC[C@@]1(C)O[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,SUXRDYUTTDFKDJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
6929,2490,-1,,,,0.0,MS1_match,SUXRDYUTTDFKDJ-BXDRXQDJSA-N,"InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5+,13-6+/t14-,15+,16-,17+,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C/CO)CO)C/C(C)=C/CC[C@@]1(C)O[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,SUXRDYUTTDFKDJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
6930,2490,-1,,,,0.0,MS1_match,SUXRDYUTTDFKDJ-ULWOQNSBSA-N,"InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5-,13-6+/t14-,15+,16-,17+,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C/CO)CO)C/C(C)=C\CC[C@@]1(C)O[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.167853172,SUXRDYUTTDFKDJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus coronopifolius,1036517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus coronopifolius'],7,0,7.0
6931,2490,-1,,,,0.0,MS1_match,SUXRDYUTTDFKDJ-BXDRXQDJSA-N,"InChI=1S/C20H26O7/c1-11-5-4-7-20(3)17(27-20)16-15(12(2)18(23)26-16)14(9-11)25-19(24)13(10-22)6-8-21/h5-6,14-17,21-22H,2,4,7-10H2,1,3H3/b11-5+,13-6+/t14-,15+,16-,17+,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C/CO)CO)C/C(C)=C/CC[C@@]1(C)O[C@H]21,C20H26O7,pos_1_1proton1ethylamine,378.1678531719999,SUXRDYUTTDFKDJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
6932,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-NXZIYWCUSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17-,18-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea derventana,7612965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea derventana'],7,0,7.0
6933,2490,-1,,,,0.0,MS1_match,DYDVEDXRKBHWQE-MOEGVCJQSA-N,"InChI=1S/C22H30O7/c1-10(2)8-16(24)27-9-15-18-17(19(25)21(15)28-13(5)23)11(3)6-7-14-12(4)22(26)29-20(14)18/h10,14-15,17-21,25H,3-4,6-9H2,1-2,5H3/t14-,15-,17-,18-,19+,20-,21+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(=O)CC(C)C)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C22H30O7,pos_1_1proton1ammonium,406.1991533,DYDVEDXRKBHWQE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
6934,2490,-1,,,,0.0,MS1_match,JJBDFSULZSKSHM-IEJYZKLLSA-N,"InChI=1S/C22H30O7/c1-10(2)6-19(25)27-9-16-18(28-13(5)23)8-14-11(3)17(24)7-15-12(4)22(26)29-21(15)20(14)16/h10,14-18,20-21,24H,3-4,6-9H2,1-2,5H3/t14-,15-,16+,17-,18-,20+,21-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(=O)CC(C)C)[C@@H](OC(C)=O)C[C@H]3C(=C)[C@@H](O)C[C@@H]12,C22H30O7,pos_1_1proton1ammonium,406.1991533,JJBDFSULZSKSHM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
6935,2490,-1,,,,0.0,MS1_match,JJBDFSULZSKSHM-IEJYZKLLSA-N,"InChI=1S/C22H30O7/c1-10(2)6-19(25)27-9-16-18(28-13(5)23)8-14-11(3)17(24)7-15-12(4)22(26)29-21(15)20(14)16/h10,14-18,20-21,24H,3-4,6-9H2,1-2,5H3/t14-,15-,16+,17-,18-,20+,21-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(=O)CC(C)C)[C@@H](OC(C)=O)C[C@H]3C(=C)[C@@H](O)C[C@@H]12,C22H30O7,pos_1_1proton1ammonium,406.1991533,JJBDFSULZSKSHM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
6936,2490,-1,,,,0.0,MS1_match,VNJNELHGWJUJCI-NQQAZDCUSA-N,"InChI=1S/C22H30O7/c1-6-10(2)21(25)27-9-15-17-16(18(24)20(15)28-13(5)23)11(3)7-8-14-12(4)22(26)29-19(14)17/h10,14-20,24H,3-4,6-9H2,1-2,5H3/t10-,14+,15+,16+,17-,18-,19+,20-/m1/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H](COC(=O)[C@H](C)CC)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C22H30O7,pos_1_1proton1ammonium,406.1991533,VNJNELHGWJUJCI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
6937,2490,-1,,,,0.0,MS1_match,OPEDAEVRMIIPOS-WBCDLYHVSA-N,"InChI=1S/C20H26O7/c1-6-13-10(3)17(26-19(24)11(4)14(23)8-22)16-12(5)20(25)27-18(16)15(13)9(2)7-21/h6,10,13-18,21-23H,1-2,4-5,7-8H2,3H3/t10-,13-,14+,15+,16-,17+,18-/m1/s1",C=C[C@@H]1[C@@H](C)[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,OPEDAEVRMIIPOS,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea attica,391030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea graeca'],7,0,7.0
6938,2490,-1,,,,0.0,MS1_match,DYDVEDXRKBHWQE-MOEGVCJQSA-N,"InChI=1S/C22H30O7/c1-10(2)8-16(24)27-9-15-18-17(19(25)21(15)28-13(5)23)11(3)6-7-14-12(4)22(26)29-20(14)18/h10,14-15,17-21,25H,3-4,6-9H2,1-2,5H3/t14-,15-,17-,18-,19+,20-,21+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(=O)CC(C)C)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C22H30O7,pos_1_1proton1ammonium,406.1991533,DYDVEDXRKBHWQE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
6939,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-YBNUWZKKSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5-,14-8?/t15?,16-,17+,18+/m0/s1",C=C(C(=O)O[C@H]1C/C(C)=C\CCC(CO)=C[C@H]2OC(=O)C(=C)[C@H]12)C(O)CO,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea crocodylium,391024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea crocodylium'],7,0,7.0
6940,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea cuneifolia,992160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cuneifolia'],7,0,7.0
6941,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
6942,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea pallescens,49202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pallescens'],7,0,7.0
6943,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea hyalolepis,7613104.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hyalolepis'],7,0,7.0
6944,2490,-1,,,,0.0,MS1_match,ZTDFZLVUIVPZDU-QGNHJMHWSA-N,"InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H]12,C20H26O7,pos_1_1proton1ethylamine,378.167853172,ZTDFZLVUIVPZDU,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea malacitana,7613211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea malacitana'],7,0,7.0
6945,2489,556,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,0.43478793,ISDB,PBLZLIFKVPJDCO-UHFFFAOYSA-N,"InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)",NCCCCCCCCCCCC(=O)O,C12H25NO2,,215.18852904,PBLZLIFKVPJDCO,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,Pseudomonas,281374.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Pseudomonadales'],['Pseudomonadaceae'],['Unknown'],['Pseudomonas'],['Unknown'],0,3,3.2391517162323
6946,2488,-1,,,,0.0,MS1_match,BLKMDORKRDACEI-OVKLUEDNSA-N,"InChI=1S/C15H20O10/c1-22-7-3-6(14(20)21)4-8(23-2)13(7)25-15-12(19)11(18)10(17)9(5-16)24-15/h3-4,9-12,15-19H,5H2,1-2H3,(H,20,21)/t9-,10-,11+,12-,15+/m1/s1",COc1cc(C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H20O10,pos_1_1proton1ethylamine,360.1056468399999,BLKMDORKRDACEI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Linaria vulgaris,989669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria vulgaris'],6,0,6.0
6947,2488,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1acetonitrile,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
6948,2488,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1acetonitrile,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
6949,2488,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1acetonitrile,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
6950,2488,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1proton1acetonitrile,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
6951,2488,-1,,,,0.0,MS1_match,NTXYRYAVOMIMPH-QHDSNVNLSA-N,"InChI=1S/C17H24O10/c1-7(19)25-6-8-4-10(20)9-2-3-24-16(12(8)9)27-17-15(23)14(22)13(21)11(5-18)26-17/h2-4,9-18,20-23H,5-6H2,1H3/t9-,10+,11+,12+,13+,14-,15+,16-,17-/m0/s1",CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,NTXYRYAVOMIMPH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago loeflingii,6073028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago caffra'],6,0,6.0
6952,2488,-1,,,,0.0,MS1_match,NTXYRYAVOMIMPH-QHDSNVNLSA-N,"InChI=1S/C17H24O10/c1-7(19)25-6-8-4-10(20)9-2-3-24-16(12(8)9)27-17-15(23)14(22)13(21)11(5-18)26-17/h2-4,9-18,20-23H,5-6H2,1H3/t9-,10+,11+,12+,13+,14-,15+,16-,17-/m0/s1",CC(=O)OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,NTXYRYAVOMIMPH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago holosteum,319420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago holosteum'],6,0,6.0
6953,2488,-1,,,,0.0,MS1_match,NTXYRYAVOMIMPH-SHJNAKKDSA-N,"InChI=1S/C17H24O10/c1-7(19)25-6-8-4-10(20)9-2-3-24-16(12(8)9)27-17-15(23)14(22)13(21)11(5-18)26-17/h2-4,9-18,20-23H,5-6H2,1H3/t9-,10+,11-,12-,13-,14+,15-,16+,17+/m1/s1",CC(=O)OCC1=C[C@H](O)[C@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,NTXYRYAVOMIMPH,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago subulata,185894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago subulata'],6,0,6.0
6954,2488,-1,,,,0.0,MS1_match,VGLLGNISLBPZNL-RBUKDIBWSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h6,8,10,12-14,16-22H,2-5H2,1H3/t8-,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,VGLLGNISLBPZNL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia davisiana,6072899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia davisiana'],6,0,6.0
6955,2488,-1,,,,0.0,MS1_match,VGLLGNISLBPZNL-RBUKDIBWSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h6,8,10,12-14,16-22H,2-5H2,1H3/t8-,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,VGLLGNISLBPZNL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago ovata,508687.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago ovata'],6,0,6.0
6956,2488,-1,,,,0.0,MS1_match,VGLLGNISLBPZNL-RBUKDIBWSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h6,8,10,12-14,16-22H,2-5H2,1H3/t8-,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,VGLLGNISLBPZNL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,0,6.0
6957,2488,-1,,,,0.0,MS1_match,VGLLGNISLBPZNL-RBUKDIBWSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h6,8,10,12-14,16-22H,2-5H2,1H3/t8-,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,VGLLGNISLBPZNL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago arborescens,217269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago arborescens'],6,0,6.0
6958,2488,-1,,,,0.0,MS1_match,FTOKJPLQUSVDHI-FLPGDQPCSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-10,12-14,16-22H,3-4H2,1-2H3/t7-,9+,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(C)[C@@H](O)C[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,FTOKJPLQUSVDHI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago cornuti,217285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago cornuti'],6,0,6.0
6959,2488,-1,,,,0.0,MS1_match,FTOKJPLQUSVDHI-FLPGDQPCSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-10,12-14,16-22H,3-4H2,1-2H3/t7-,9+,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(C)[C@@H](O)C[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.136946968,FTOKJPLQUSVDHI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
6960,2488,-1,,,,0.0,MS1_match,NYCXYIWXBJWWIL-PZYDOOQISA-N,"InChI=1S/C15H24O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h5-14,16-21H,1-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H24O10,pos_1_1proton1acetonitrile,364.1369469679999,NYCXYIWXBJWWIL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
6961,2488,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon grandiflorus,323784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon grandiflorus'],6,0,6.0
6962,2488,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,0,6.0
6963,2488,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-XJSNKYLASA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@@H]2C,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,0,6.0
6964,2488,-1,,,,0.0,MS1_match,AFFNBNJOIDYUQN-QUQWIGIVSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-14,16-22H,1,3-4H2,2H3/t7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]2C[C@@H]1O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,AFFNBNJOIDYUQN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon acuminatus,34996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon acuminatus'],6,0,6.0
6965,2488,-1,,,,0.0,MS1_match,AFFNBNJOIDYUQN-QUQWIGIVSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-14,16-22H,1,3-4H2,2H3/t7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]2C[C@@H]1O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,AFFNBNJOIDYUQN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,0,6.0
6966,2488,-1,,,,0.0,MS1_match,AFFNBNJOIDYUQN-QUQWIGIVSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-14,16-22H,1,3-4H2,2H3/t7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]2C[C@@H]1O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,AFFNBNJOIDYUQN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Aragoa cundinamarcensis,254753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Aragoa'],['Aragoa cundinamarcensis'],6,0,6.0
6967,2488,-1,,,,0.0,MS1_match,AFFNBNJOIDYUQN-QUQWIGIVSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-14,16-22H,1,3-4H2,2H3/t7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]2C[C@@H]1O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,AFFNBNJOIDYUQN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon acuminatus,34996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon acuminatus'],6,0,6.0
6968,2488,-1,,,,0.0,MS1_match,AFFNBNJOIDYUQN-QUQWIGIVSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-14,16-22H,1,3-4H2,2H3/t7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]2C[C@@H]1O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,AFFNBNJOIDYUQN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,0,6.0
6969,2488,-1,,,,0.0,MS1_match,AFFNBNJOIDYUQN-QUQWIGIVSA-N,"InChI=1S/C17H24O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5,7,9-14,16-22H,1,3-4H2,2H3/t7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)OC)[C@H]2C[C@@H]1O,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,AFFNBNJOIDYUQN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Aragoa cundinamarcensis,254753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Aragoa'],['Aragoa cundinamarcensis'],6,0,6.0
6970,2488,-1,,,,0.0,MS1_match,IBFYXTRXDNAPMM-BVTMAQQCSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,IBFYXTRXDNAPMM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon eximius,7053911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon eximius'],6,0,6.0
6971,2488,-1,,,,0.0,MS1_match,IBFYXTRXDNAPMM-BVTMAQQCSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,IBFYXTRXDNAPMM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon crandallii,1082417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon crandallii'],6,0,6.0
6972,2488,-1,,,,0.0,MS1_match,IBFYXTRXDNAPMM-BVTMAQQCSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,IBFYXTRXDNAPMM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia davisiana,6072899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia davisiana'],6,0,6.0
6973,2488,-1,,,,0.0,MS1_match,IBFYXTRXDNAPMM-BVTMAQQCSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,IBFYXTRXDNAPMM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia orientalis,6072910.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia orientalis'],6,0,6.0
6974,2488,-1,,,,0.0,MS1_match,IBFYXTRXDNAPMM-BVTMAQQCSA-N,"InChI=1S/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h2,6,8,10-14,16-22H,3-5H2,1H3/t8-,10-,11-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,IBFYXTRXDNAPMM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
6975,2488,-1,,,,0.0,MS1_match,HLXRWTJXGMHOFN-UHFFFAOYSA-N,"InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12,C17H24O10,pos_1_1proton1ammonium,388.1369469679999,HLXRWTJXGMHOFN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon pachyphyllus var. mucronatus,522023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon pachyphyllus'],6,0,6.0
6976,2488,-1,,,,0.0,MS1_match,XPRBGBUKKZEUFV-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)7(17)4-15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)[C@H](O)C[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O10,pos_1_1proton1acetonitrile,364.136946968,XPRBGBUKKZEUFV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
6977,2487,1066,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.9192844,ISDB,OZMQICPXNIVENO-UGDUAMEYSA-N,"InChI=1S/C15H22O/c1-8(2)11-6-5-10(4)15-12(16)7-9(3)13(15)14(11)15/h7-8,10-11,13-14H,5-6H2,1-4H3/t10-,11+,13-,14-,15?/m0/s1",CC1=CC(=O)C23[C@@H]([C@@H](C(C)C)CC[C@@H]2C)[C@H]13,C15H22O,,218.167065324,OZMQICPXNIVENO,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Leptogorgia palma,3678039.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Leptogorgia'],['Leptogorgia palma'],2,1,6.177137613296509
6978,2487,1066,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.9192844,ISDB,OZMQICPXNIVENO-HZZBMVKVSA-N,"InChI=1S/C15H22O/c1-8(2)11-6-5-10(4)15-12(16)7-9(3)13(15)14(11)15/h7-8,10-11,13-14H,5-6H2,1-4H3/t10-,11+,13-,14-,15-/m0/s1",CC1=CC(=O)[C@@]23[C@@H]([C@@H](C(C)C)CC[C@@H]2C)[C@H]13,C15H22O,,218.167065324,OZMQICPXNIVENO,Terpenoids,Sesquiterpenoids,Cubebane sesquiterpenoids,Leminda millecra,844107.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Charcotiidae'],['Unknown'],['Leminda'],['Leminda millecra'],2,1,6.177137613296509
6979,2485,-1,,,,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1potassium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
6980,2485,-1,,,,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1potassium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
6981,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
6982,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
6983,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
6984,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
6985,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
6986,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
6987,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
6988,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
6989,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
6990,2485,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
6991,2482,-1,,,,0.0,MS1_match,WDMZJJWHBHUUCS-DPBPPFMOSA-N,"InChI=1S/C29H46O5/c1-17-8-11-29(24(33)34)13-12-27(4)18(19(29)14-17)6-7-22-25(2)15-20(31)23(32)26(3,16-30)21(25)9-10-28(22,27)5/h6,17,19-23,30-32H,7-16H2,1-5H3,(H,33,34)/t17-,19+,20-,21-,22-,23+,25+,26+,27-,28-,29+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1,C29H46O5,pos_1_minus1proton1iron,474.3345245719999,WDMZJJWHBHUUCS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Sapium haematospermum,555782.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Sapium'],['Sapium haematospermum'],6,0,6.0
6992,2481,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6993,2481,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
6994,2478,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,COVOPZQGJGUPEY-MRVPVSSYSA-N,"InChI=1S/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H/t8-/m1/s1",O=C1[C@H](O)Oc2ccccc2N1O,C8H7NO4,pos_1_1proton,181.037507704,COVOPZQGJGUPEY,Alkaloids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
6995,2476,124,Fatty acids,Fatty amides,Primary amides,0.325472,ISDB,IPGLKLMWYXMYAB-HNYVXQBRSA-N,"InChI=1S/C15H29NO/c1-3-5-7-8-9-11-13-16-14-15(17)12-10-6-4-2/h7-9,11,15-17H,3-6,10,12-14H2,1-2H3/b8-7+,11-9+/t15-/m1/s1",CCC/C=C/C=C/CNC[C@H](O)CCCCC,C15H29NO,,239.224914548,IPGLKLMWYXMYAB,Fatty acids,Fatty acyls,Fatty alcohols,Pseudodistoma,103241.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Pseudodistomidae'],['Unknown'],['Pseudodistoma'],['Unknown'],2,1,3.8018879890441895
6996,2474,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.70383817,ISDB,JUPDJMWLVUWUII-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-6(11)7-3-2-4-8-9(7)5-13-10(8)12/h2-4H,5H2,1H3",CC(=O)c1cccc2c1COC2=O,C10H8O3,,176.047344116,JUPDJMWLVUWUII,Polyketides,Cyclic polyketides,Phthalide derivatives,Salvia xalapensis,7054269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia xalapensis'],5,0,7.81535267829895
6997,2473,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OXUUEDHJHFWUCB-KPSPPPMPSA-N,"InChI=1S/C17H22O7/c1-8-3-4-11-14(24-15(21)17(11,23)7-18)13-9(2)16(22,5-10(8)13)6-12(19)20/h10-11,13-14,18,22-23H,1-7H2,(H,19,20)/t10-,11+,13-,14-,16+,17-/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2C(=C)[C@](O)(CC(=O)O)C[C@@H]12,C17H22O7,pos_1_1sodium,338.136553044,OXUUEDHJHFWUCB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,1,7.5
6998,2473,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SANZOWBUBFMKRE-PHTPDJCKSA-N,"InChI=1S/C17H22O7/c1-9-6-13(19)16-10(2)17(20)23-15(16)7-12(8-22-11(3)18)4-5-14(9)24-21/h7,13-16,19,21H,1-2,4-6,8H2,3H3/b12-7+/t13-,14+,15-,16+/m0/s1",C=C1C(=O)O[C@H]2/C=C(/COC(C)=O)CC[C@@H](OO)C(=C)C[C@H](O)[C@@H]12,C17H22O7,pos_1_1sodium,338.136553044,SANZOWBUBFMKRE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,1,7.5
6999,2473,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QKMLPSOMRMIAPR-RBGAWHCWSA-N,"InChI=1S/C29H34O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,20,22-34,37-40H,10-11H2,1H3/b7-3+/t12-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCC(=O)c3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H34O16,pos_2_2proton2acetonitrile,638.1846850080001,QKMLPSOMRMIAPR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago depressa,1004414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago depressa'],6,3,7.5
7000,2470,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6603012,ISDB,TVHWZFSMYZPWDT-OCCSQVGLSA-N,"InChI=1S/C14H16O2/c1-9(2)12-7-13-10(6-14(12)16)4-3-5-11(13)8-15/h3-5,8,12,14,16H,1,6-7H2,2H3/t12-,14+/m1/s1",C=C(C)[C@H]1Cc2c(C=O)cccc2C[C@@H]1O,C14H16O2,,216.115029752,TVHWZFSMYZPWDT,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia przewalskii,619955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia przewalskii'],6,2,9.641204833984375
7001,2467,396,Alkaloids,Ornithine alkaloids,Polyamines,0.39732623,ISDB,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra tetragona,490871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra tetragona'],5,3,8.08930492401123
7002,2467,396,Alkaloids,Ornithine alkaloids,Polyamines,0.39732623,ISDB,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra arborea,490871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra tetragona'],5,3,8.08930492401123
7003,2467,396,Alkaloids,Ornithine alkaloids,Polyamines,0.39732623,ISDB,PFDVWJCSCYDRMZ-AUCPOXKISA-N,"InChI=1S/C34H37N3O6/c38-29-13-4-26(5-14-29)10-19-32(41)35-22-1-2-24-37(34(43)21-12-28-8-17-31(40)18-9-28)25-3-23-36-33(42)20-11-27-6-15-30(39)16-7-27/h4-21,38-40H,1-3,22-25H2,(H,35,41)(H,36,42)/b19-10+,20-11+,21-12+",O=C(/C=C/c1ccc(O)cc1)NCCCCN(CCCNC(=O)/C=C/c1ccc(O)cc1)C(=O)/C=C/c1ccc(O)cc1,C34H37N3O6,,583.268235904,PFDVWJCSCYDRMZ,Alkaloids,Ornithine alkaloids,Polyamines,Aphelandra chamissoniana,5801368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Acanthaceae'],['Unknown'],['Aphelandra'],['Aphelandra chamissoniana'],5,3,8.08930492401123
7004,2466,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.52580965,ISDB,HIYSWASSDOXZLC-MOHJPFBDSA-N,"InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22/h12,14-19,26-27H,3-11,13H2,1-2H3/b24-18-",CCCCCCCCCCCc1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1,C25H35N3O,,393.27801274,HIYSWASSDOXZLC,Alkaloids,Proline alkaloids,Prodigiosins,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,0,4.103238582611084
7005,2465,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-QUYVBRFLSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MMg,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7006,2465,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,GUBGYTABKSRVRQ-QUYVBRFLSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,C12H22O11,pos_2MMg,342.11621152399994,GUBGYTABKSRVRQ,Carbohydrates,Saccharides,Disaccharides,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7007,2464,903,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.55860686,ISDB,CWNIQCOMWQROPA-RMPJHFDMSA-N,"InChI=1S/C16H20N2O6S/c19-7-11-13(20)14(21)15(22)16(24-11)25-12(18-23)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-23H,5,7H2/b18-12-/t11-,13-,14+,15-,16-/m1/s1",OC[C@H]1O[C@H](S/C(Cc2c[nH]c3ccccc23)=N\O)[C@H](O)[C@@H](O)[C@@H]1O,C16H20N2O6S,,368.10420736,CWNIQCOMWQROPA,Amino acids and Peptides,Amino acid glycosides,Glucosinolates,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,9.234427452087402
7008,2462,-1,,,,0.0,MS1_match,JNIVOKDEGVTPPC-ZQNQSHIBSA-N,"InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1[C@H](O)C[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]12,C15H24O2,pos_1_1proton1isopropanol,236.177630008,JNIVOKDEGVTPPC,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7009,2462,-1,,,,0.0,MS1_match,CEVNHRPKRNTGKO-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3",C=C(C)C1CCC2(C1)C(C)CC(O)CC2C=O,C15H24O2,pos_1_1proton1isopropanol,236.177630008,CEVNHRPKRNTGKO,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7010,2459,-1,,,,0.47727424,ISDB,RFLNUHYJEZWZIP-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-2-6(5-10)7-3-8(11)13-9(12)4-7/h2,5,7H,3-4H2,1H3",CC=C(C=O)C1CC(=O)OC(=O)C1,C9H10O4,,182.0579088,RFLNUHYJEZWZIP,,,,Jasminum grandiflorum,783178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Jasmineae'],['Jasminum'],['Jasminum grandiflorum'],5,0,6.909096956253052
7011,2458,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,SZLIWAKTUJFFNX-HNNXBMFYSA-N,"InChI=1S/C17H26O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,10-11,14-15H,7-9,12-13H2,1-3H3/t15-/m0/s1",CC(C)CCC[C@H](C)CCOC(=O)c1ccccc1,C17H26O2,pos_2_2sodium,262.193280072,SZLIWAKTUJFFNX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,2,7.0
7012,2458,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,ZRSNZINYAWTAHE-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3",COc1ccc(C=O)cc1,C8H8O2,pos_1_1proton1ammonium,136.052429496,ZRSNZINYAWTAHE,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,2,7.0
7013,2458,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,GPSDUZXPYCFOSQ-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)",Cc1cccc(C(=O)O)c1,C8H8O2,pos_1_1proton1ammonium,136.052429496,GPSDUZXPYCFOSQ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],6,2,7.0
7014,2457,357,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.8181021,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus sempervirens,1000252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus sempervirens'],1,1,4.772408485412598
7015,2457,357,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.8181021,ISDB,BCMOWDMOMYVIPH-OBLRLYFESA-N,"InChI=1S/C24H37NO/c1-6-15-16(26)13-22(5)18-8-7-17-20(2,3)19(25)9-10-23(17)14-24(18,23)12-11-21(15,22)4/h6,17-19H,7-14,25H2,1-5H3/b15-6-/t17-,18-,19-,21+,22-,23+,24-/m0/s1",C/C=C1/C(=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@@]35CC[C@]12C,C24H37NO,,355.287514804,BCMOWDMOMYVIPH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Buxus rugulosa,5715999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Buxus'],['Buxus rugulosa'],1,1,4.772408485412598
7016,2456,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7907828,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.66313123703003
7017,2456,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7907828,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.66313123703003
7018,2456,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7907828,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Bistorta bistortoides,3943797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Polygonaceae'],['Persicarieae'],['Bistorta'],['Bistorta bistortoides'],4,3,8.66313123703003
7019,2456,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7907828,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Onobrychis viciifolia,359899.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Hedysareae'],['Onobrychis'],['Onobrychis viciifolia'],4,3,8.66313123703003
7020,2456,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7907828,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],4,3,8.66313123703003
7021,2456,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7907828,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],4,3,8.66313123703003
7022,2456,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7907828,ISDB,SRXKAYJJGAAOBP-LURJTMIESA-N,"InChI=1S/C7H14N2O3/c1-5(10)9-4-2-3-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1",CC(=O)NCCC[C@H](N)C(=O)O,C7H14N2O3,,174.100442308,SRXKAYJJGAAOBP,Amino acids and Peptides,Small peptides,Aminoacids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],4,3,8.66313123703003
7023,2455,-1,,,,0.58074343,ISDB,VYTWYRAYFDVDEF-UYHBOPCKSA-N,"InChI=1S/C15H22O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h8-14,16H,1,4-6H2,2-3H3/t8-,9-,10+,11+,12+,13+,14+/m0/s1",C=C1CC[C@H]2[C@@H](OC(=O)[C@H]2C)[C@@H]2[C@@H](C)[C@H](O)C[C@H]12,C15H22O3,,250.156894564,VYTWYRAYFDVDEF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,9.322973728179932
7024,2454,-1,,,,0.5433454,ISDB,KJEHWCNZDXNILH-YLUTUWDDSA-N,"InChI=1S/C19H20O12/c1-7-17(9(20)2-3-28-7)31-19-16(26)15(25)14(24)12(30-19)6-29-18(27)8-4-10(21)13(23)11(22)5-8/h2-5,12,14-16,19,21-26H,6H2,1H3/t12-,14-,15+,16-,19+/m1/s1",Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C19H20O12,,440.09547608,KJEHWCNZDXNILH,Polyketides,,,Polyspora axillaris,281681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Polyspora'],['Polyspora axillaris'],4,0,6.173381567001343
7025,2452,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.8491424,ISDB,ZIXNWOVXWUYDLX-IIJHBXAKSA-N,"InChI=1S/C22H33NO2/c1-14-12-23-13-16-7-6-15-4-3-5-18(15)22(11-9-19(24)25)20(23)17(14)8-10-21(16,22)2/h5,14-17,20H,3-4,6-13H2,1-2H3,(H,24,25)/t14-,15+,16-,17-,20+,21+,22+/m1/s1",C[C@@H]1CN2C[C@H]3CC[C@@H]4CCC=C4[C@@]4(CCC(=O)O)[C@@H]2[C@@H]1CC[C@@]34C,C22H33NO2,,343.251129296,ZIXNWOVXWUYDLX,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum calycinum,816930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum calycinum'],0,3,4.896569490432739
7026,2446,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.24875255,ISDB,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,11.495010197162628
7027,2442,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91192436,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,11.147697448730469
7028,2442,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91192436,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone grandiflora,739052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone grandiflora'],6,3,11.147697448730469
7029,2442,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91192436,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,3,11.147697448730469
7030,2442,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.91192436,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,3,11.147697448730469
7031,2440,-1,,,,0.50092715,ISDB,MFIFUIBJYOGPRT-IJLOBDSISA-N,"InChI=1S/C20H34O2/c1-8-9-13(2)10-14(3)11-15(4)12-16(5)20-17(6)19(21)18(7)22-20/h12-15,18H,8-11H2,1-7H3/b16-12+/t13-,14-,15-,18+/m0/s1",CCC[C@H](C)C[C@H](C)C[C@H](C)/C=C(\C)C1=C(C)C(=O)[C@@H](C)O1,C20H34O2,,306.255880328,MFIFUIBJYOGPRT,Polyketides,Linear polyketides,Open-chain polyketides,Siphonaria pectinata,255562.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Unknown'],['Siphonariidae'],['Unknown'],['Siphonaria'],['Siphonaria pectinata'],4,0,6.003708600997925
7032,2438,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QQAWVLSYYFBHKY-TZQNSNDFSA-N,"InChI=1S/C21H26O4/c1-6-12(2)21(22)25-11-16-17-13(3)8-7-9-15(17)19(23-5)20-18(16)14(4)10-24-20/h6,10,13H,7-9,11H2,1-5H3/b12-6-/t13-/m0/s1",C/C=C(/C)C(=O)OCc1c2c(c(OC)c3occ(C)c13)CCC[C@@H]2C,C21H26O4,pos_2MCa,342.183109312,QQAWVLSYYFBHKY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio coronatus,5794308.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio coronatus'],6,2,7.0
7033,2438,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,TZPUHWLTZOZEIW-UHFFFAOYSA-N,"InChI=1S/C21H26O4/c1-6-12(2)10-16(22)25-20-17-13(3)11-24-19(17)18(23)15-9-7-8-14(4)21(15,20)5/h9-11,14,20H,6-8H2,1-5H3",CCC(C)=CC(=O)OC1c2c(C)coc2C(=O)C2=CCCC(C)C21C,C21H26O4,pos_2MCa,342.183109312,TZPUHWLTZOZEIW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Pittocaulon praecox,711405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Pittocaulon'],['Pittocaulon praecox'],6,2,7.0
7034,2438,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,SMXQJYKLBKWZEZ-ZDUSSCGKSA-N,"InChI=1S/C21H26O4/c1-12(2)9-17(22)24-11-16-18-13(3)7-6-8-15(18)20(23-5)21-19(16)14(4)10-25-21/h6,8,10,12-13H,7,9,11H2,1-5H3/t13-/m0/s1",COc1c2c(c(COC(=O)CC(C)C)c3c(C)coc13)[C@@H](C)CC=C2,C21H26O4,pos_2MCa,342.183109312,SMXQJYKLBKWZEZ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio madagascariensis,901733.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio madagascariensis'],6,2,7.0
7035,2435,-1,,,,0.40233254,ISDB,CIUORYCGUNFGHQ-QTXLCTLRSA-N,"InChI=1S/C18H28O2/c1-12-6-8-18(5)13(2)10-15(20)11-16(18)17(12,4)9-7-14(3)19/h10,12,16H,6-9,11H2,1-5H3/t12-,16-,17+,18+/m1/s1",CC(=O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12,C18H28O2,,276.208930136,CIUORYCGUNFGHQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Ageratina adenophora,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,0,7.609330177307129
7036,2435,-1,,,,0.40233254,ISDB,CIUORYCGUNFGHQ-QTXLCTLRSA-N,"InChI=1S/C18H28O2/c1-12-6-8-18(5)13(2)10-15(20)11-16(18)17(12,4)9-7-14(3)19/h10,12,16H,6-9,11H2,1-5H3/t12-,16-,17+,18+/m1/s1",CC(=O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]12,C18H28O2,,276.208930136,CIUORYCGUNFGHQ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Eupatorium adenophorum,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,0,7.609330177307129
7037,2433,-1,,,,0.0,MS1_match,LVWCGFQTAFKQBI-DWBQKEMDSA-N,"InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1",CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C,C30H42O6,pos_2MFe,498.298139064,LVWCGFQTAFKQBI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7038,2432,-1,,,,0.0,MS1_match,NUPTUAXNMUIMFS-ZZFVZTRASA-N,"InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)62-9-22-30-32(65-35(55)11-3-17(44)27(51)18(45)4-11)33(39(63-22)67-36(56)12-5-19(46)28(52)20(47)6-12)66-37(57)13-7-21(48)29(53)31-24(13)25-14(38(58)64-30)8-23(49)40(59,60)41(25,61)68-31/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)C(O)(O)[C@]3(O)O4)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]2COC(=O)c1cc(O)c(O)c(O)c1,C41H30O27,pos_1_1proton1ammonium,954.0974457,NUPTUAXNMUIMFS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7039,2432,-1,,,,0.0,MS1_match,QCCCZTBAYDERBM-NLPUGBIRSA-N,"InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-36(56)11-5-17(46)27(51)31-22(11)23-12(38(58)64-30)6-19(47)41(61,68-31)40(23,59)60/h1-6,18,23,30,32-33,35,39,42-46,48-53,55,59-61H,7H2/t18-,23?,30-,32-,33+,35?,39+,41?/m1/s1",O=C1O[C@H]2[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O4)C3(O)O)[C@@H]1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(O)OC[C@H]2O1,C41H30O27,pos_1_1proton1ammonium,954.0974457,QCCCZTBAYDERBM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7040,2429,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.32005605,ISDB,GPVDHNVGGIAOQT-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)",COc1ccc(C(=O)O)c(OC)c1,C9H10O4,,182.0579088,GPVDHNVGGIAOQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],5,3,7.7802242040634155
7041,2428,121,Terpenoids,Steroids,Acyclic monoterpenoids,0.0,MS1_match,BRNNTXYZAIPAFB-IVFQWYFZSA-N,"InChI=1S/C24H34O11/c1-13(7-9-25)16(26)5-3-14(2)23(32)34-12-19-20(29)21(30)22(31)24(35-19)33-10-8-15-4-6-17(27)18(28)11-15/h3-4,6-7,11,16,19-22,24-31H,5,8-10,12H2,1-2H3/b13-7+,14-3+/t16-,19-,20-,21+,22-,24-/m1/s1",C/C(=C\C[C@@H](O)/C(C)=C/CO)C(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H34O11,pos_1_1proton1ammonium,498.210111908,BRNNTXYZAIPAFB,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,3,7.5
7042,2426,-1,,,,0.0,MS1_match,JAYVHSBYKLLDJC-DSNJPTTOSA-N,"InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1",OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,JAYVHSBYKLLDJC,,,,Euphorbia marschalliana,969004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia marschalliana'],8,0,8.0
7043,2426,-1,,,,0.0,MS1_match,JAYVHSBYKLLDJC-DSNJPTTOSA-N,"InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1",OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,JAYVHSBYKLLDJC,,,,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,0,8.0
7044,2426,-1,,,,0.0,MS1_match,JAYVHSBYKLLDJC-DSNJPTTOSA-N,"InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1",OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,JAYVHSBYKLLDJC,,,,Euphorbia marschalliana,969004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia marschalliana'],8,0,8.0
7045,2426,-1,,,,0.0,MS1_match,JAYVHSBYKLLDJC-DSNJPTTOSA-N,"InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1",OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,JAYVHSBYKLLDJC,,,,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,0,8.0
7046,2426,-1,,,,0.0,MS1_match,JAYVHSBYKLLDJC-DSNJPTTOSA-N,"InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1",OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,JAYVHSBYKLLDJC,,,,Euphorbia marschalliana,969004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia marschalliana'],8,0,8.0
7047,2426,-1,,,,0.0,MS1_match,JAYVHSBYKLLDJC-DSNJPTTOSA-N,"InChI=1S/C20H22O9/c21-9-15-16(25)17(26)18(27)20(28-15)29-19-11(7-13(23)8-14(19)24)4-1-10-2-5-12(22)6-3-10/h1-8,15-18,20-27H,9H2/b4-1+/t15-,16-,17+,18-,20+/m1/s1",OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2/C=C/c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C20H22O9,pos_1_1proton1methanol,406.12638228399993,JAYVHSBYKLLDJC,,,,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,0,8.0
7048,2424,167,Terpenoids,Sesquiterpenoids,Polyamines,0.0,MS1_match,QLYUSONKBWKHRY-VRPMWHRCSA-N,"InChI=1S/C15H26O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h10-13,16-19H,1,4-8H2,2-3H3/t10-,11+,12+,13-,14-,15+/m0/s1",C=C1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H]([C@](C)(O)CO)C[C@H]12,C15H26O4,pos_1_minus1proton1magnesium,270.183109312,QLYUSONKBWKHRY,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,2,9.0
7049,2423,-1,,,,0.0,MS1_match,PNTZNYAZPFEWIO-QXRALERCSA-N,"InChI=1S/C31H38O6/c1-18-12-14-23-24(30(23,5)6)16-19(2)29(35)31(37-21(4)32)17-20(3)28(26(31)27(18)34)36-25(33)15-13-22-10-8-7-9-11-22/h7-11,13,15-16,20,23-24,26-28,34H,1,12,14,17H2,2-6H3/b15-13+,19-16+/t20-,23-,24+,26-,27-,28-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C,C31H38O6,pos_2MMg,506.2668389359999,PNTZNYAZPFEWIO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,0,8.0
7050,2423,-1,,,,0.0,MS1_match,QMERYCNSXBRAEW-LPOYBKNWSA-N,"InChI=1S/C31H38O6/c1-17(2)27(33)37-30-15-19(4)31(35)23-12-18(3)25(32)22(23)13-20(14-24(31)26(30)29(30,5)6)16-36-28(34)21-10-8-7-9-11-21/h7-12,14,17,19,22-24,26,35H,13,15-16H2,1-6H3/t19-,22+,23-,24+,26-,30+,31+/m1/s1",CC1=C[C@@H]2[C@H](CC(COC(=O)c3ccccc3)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C(C)C)C[C@@H](C)[C@]23O)C1=O,C31H38O6,pos_2MMg,506.266838936,QMERYCNSXBRAEW,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,0,8.0
7051,2423,-1,,,,0.0,MS1_match,QMERYCNSXBRAEW-LPOYBKNWSA-N,"InChI=1S/C31H38O6/c1-17(2)27(33)37-30-15-19(4)31(35)23-12-18(3)25(32)22(23)13-20(14-24(31)26(30)29(30,5)6)16-36-28(34)21-10-8-7-9-11-21/h7-12,14,17,19,22-24,26,35H,13,15-16H2,1-6H3/t19-,22+,23-,24+,26-,30+,31+/m1/s1",CC1=C[C@@H]2[C@H](CC(COC(=O)c3ccccc3)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C(C)C)C[C@@H](C)[C@]23O)C1=O,C31H38O6,pos_2MMg,506.266838936,QMERYCNSXBRAEW,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,0,8.0
7052,2423,-1,,,,0.0,MS1_match,QCCPFILGSBBQDJ-ZSNQJJJLSA-N,"InChI=1S/C24H36O11/c1-9-8-23(34-13(5)26)14(15(9)27)16(28)10(2)19(33-12(4)25)18(30)20(31)22(6,7)21-17(29)11(3)24(23,32)35-21/h9,11,14-16,18-21,27-28,30-32H,2,8H2,1,3-7H3/t9-,11+,14+,15-,16+,18-,19-,20+,21-,23+,24+/m0/s1",C=C1[C@@H](O)[C@H]2[C@@H](O)[C@@H](C)C[C@]2(OC(C)=O)[C@]2(O)O[C@@H](C(=O)[C@H]2C)C(C)(C)[C@H](O)[C@@H](O)[C@H]1OC(C)=O,C24H36O11,pos_1_1proton1ammonium,500.225761972,QCCPFILGSBBQDJ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],8,0,8.0
7053,2418,-1,,,,0.0,MS1_match,LAITWLZASKJXLZ-QQBNPUAHSA-N,"InChI=1S/C33H36O16/c1-43-21-6-14(4-5-17(21)36)28(39)25(12-34)48-32-23(44-2)7-15(8-24(32)45-3)20-11-19(38)27-18(37)9-16(10-22(27)47-20)46-33-31(42)30(41)29(40)26(13-35)49-33/h4-11,25-26,28-31,33-37,39-42H,12-13H2,1-3H3/t25-,26+,28+,29+,30-,31+,33+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4o3)cc2OC)ccc1O,C33H36O16,pos_1_1proton,688.2003350720001,LAITWLZASKJXLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,0,6.0
7054,2413,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0
7055,2413,-1,,,,0.0,MS1_match,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,pos_1_1sodium,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,0,8.0
7056,2413,-1,,,,0.0,MS1_match,MGDFXJZWAHCAMS-UHFFFAOYSA-N,"InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2",c1ccc(OCCCCCCCCCCCCOc2ccccc2)cc1,C24H34O2,pos_1_minus1proton1iron,354.255880328,MGDFXJZWAHCAMS,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
7057,2410,-1,,,,0.0,MS1_match,JDXJTMWWGZXTGE-FVSNMVKCSA-N,"InChI=1S/C33H42O9/c1-19-14-15-32(7,8)28(37)17-27(39-22(4)34)20(2)16-26-29(41-31(38)25-12-10-9-11-13-25)21(3)18-33(26,42-24(6)36)30(19)40-23(5)35/h9-16,19,21,26-27,29-30H,17-18H2,1-8H3/b15-14-,20-16-/t19-,21-,26+,27-,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O9,pos_1_1sodium,582.2828829239999,JDXJTMWWGZXTGE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7058,2410,-1,,,,0.0,MS1_match,NGDYOIKDURHVFB-HSFANBJSSA-N,"InChI=1S/C33H42O9/c1-20-15-16-32(6,7)28(37)18-26(39-22(3)34)13-14-27-30(41-29(38)17-25-11-9-8-10-12-25)21(2)19-33(27,42-24(5)36)31(20)40-23(4)35/h8-16,20-21,26-27,30-31H,17-19H2,1-7H3/b14-13+,16-15+/t20-,21+,26+,27+,30+,31+,33-/m1/s1",CC(=O)O[C@H]1/C=C/[C@H]2[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)/C=C/C(C)(C)C(=O)C1,C33H42O9,pos_1_1sodium,582.282882924,NGDYOIKDURHVFB,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7059,2409,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.5977219,ISDB,PLKUTZNSKRWCCA-NQWUONRPSA-O,"InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33)/p+1/t8-,17+,18-,20+,21-,22-,23-,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H31O16+,,611.16066133209,PLKUTZNSKRWCCA,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,12.39088749885559
7060,2407,614,Fatty acids,Fatty esters,Wax monoesters,0.79794663,ISDB,BXUVLPDAJOPHFD-MQEUWQHPSA-N,"InChI=1S/C18H32O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/b8-7-,12-11-",CCCCC/C=C\CC/C=C\CCC(C)CCC=O,C18H32O,,264.245315644,BXUVLPDAJOPHFD,Fatty acids,Fatty acyls,Fatty aldehydes,Anthracocystis flocculosa,548806.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Ustilaginomycetes'],['Ustilaginales'],['Ustilaginaceae'],['Unknown'],['Pseudozyma'],['Pseudozyma flocculosa'],0,1,3.691786527633667
7061,2406,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4058838,ISDB,QYLKPOARSREGIU-PLRKCHECSA-N,"InChI=1S/C28H24O17/c29-7-17-21(38)23(40)26(44-27(41)9-3-14(34)20(37)15(35)4-9)28(43-17)45-25-22(39)18-11(31)5-10(30)6-16(18)42-24(25)8-1-12(32)19(36)13(33)2-8/h1-6,17,21,23,26,28-38,40H,7H2/t17-,21+,23+,26-,28+/m1/s1",O=C(O[C@H]1[C@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O17,,632.101349308,QYLKPOARSREGIU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,1,10.12353515625
7062,2402,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7063,2402,-1,,,,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ethylamine,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7064,2402,-1,,,,0.0,MS1_match,LJFYQZQUAULRDF-FDGSXQGBSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H18O8,pos_1_1proton1ethylamine,326.1001675359999,LJFYQZQUAULRDF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7065,2402,-1,,,,0.0,MS1_match,LJFYQZQUAULRDF-FDGSXQGBSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H18O8,pos_1_1proton1ethylamine,326.1001675359999,LJFYQZQUAULRDF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7066,2400,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NTMCNXOHIKKBGQ-BKQCEYEPSA-N,"InChI=1S/C31H46O18/c1-9-10-11-39-24(38)12-15(2)42-31-29(48-21(8)37)27(46-19(6)35)25(44-17(4)33)23(49-31)14-41-30-28(47-20(7)36)26(45-18(5)34)22(13-40-30)43-16(3)32/h15,22-23,25-31H,9-14H2,1-8H3/t15-,22+,23-,25-,26+,27+,28-,29-,30+,31-/m1/s1",CCCCOC(=O)C[C@@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O,C31H46O18,pos_1_1proton1ethylamine,706.268414632,NTMCNXOHIKKBGQ,,,,Physalis peruviana,950227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis peruviana'],6,0,6.0
7067,2399,-1,,,,0.49489674,ISDB,ZYHGYHJVGNKOFF-LJQANCHMSA-N,"InChI=1S/C24H20O6/c1-29-21-11-15(6-9-20(21)27)19-13-23(28)30-22-12-18(26)10-16(24(19)22)5-2-14-3-7-17(25)8-4-14/h2-12,19,25-27H,13H2,1H3/t19-/m1/s1",COc1cc([C@H]2CC(=O)Oc3cc(O)cc(C=Cc4ccc(O)cc4)c32)ccc1O,C24H20O6,,404.12598836,ZYHGYHJVGNKOFF,Shikimates and Phenylpropanoids,Stilbenoids,Oligomeric stibenes,Smilax corbularia,628572.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Liliales'],['Smilacaceae'],['Unknown'],['Smilax'],['Smilax corbularia'],4,0,5.979586958885193
7068,2397,-1,,,,0.0,MS1_match,PKDCJXSRTGTJRC-QRDGOAKLSA-N,"InChI=1S/C23H22O11/c1-9(24)32-8-16-19(29)20(30)21(31)23(34-16)18-13(27)6-12(26)17-14(28)7-15(33-22(17)18)10-2-4-11(25)5-3-10/h2-7,16,19-21,23,25-27,29-31H,8H2,1H3/t16-,19-,20+,21-,23-/m0/s1",CC(=O)OC[C@@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@@H](O)[C@H](O)[C@H]1O,C23H22O11,pos_1_1proton1methanol,474.116211524,PKDCJXSRTGTJRC,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Briza media,672.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Briza'],['Briza media'],6,0,6.0
7069,2397,-1,,,,0.0,MS1_match,ZJTJUVIJVLLGSP-UHFFFAOYSA-N,"InChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)",Cc1cc2nc3nc(O)nc(O)c3nc2cc1C,C12H10N4O2,pos_2MNa,242.08037556,ZJTJUVIJVLLGSP,Alkaloids,Anthranilic acid alkaloids,Phenazine alkaloids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
7070,2396,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6516656,ISDB,TVHWZFSMYZPWDT-OCCSQVGLSA-N,"InChI=1S/C14H16O2/c1-9(2)12-7-13-10(6-14(12)16)4-3-5-11(13)8-15/h3-5,8,12,14,16H,1,6-7H2,2H3/t12-,14+/m1/s1",C=C(C)[C@H]1Cc2c(C=O)cccc2C[C@@H]1O,C14H16O2,,216.115029752,TVHWZFSMYZPWDT,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Ligularia przewalskii,619955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia przewalskii'],6,2,9.606662511825562
7071,2394,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JGGVWWZQGUNVGF-PTNQPDIHSA-N,"InChI=1S/C35H46O21/c36-11-20-24(43)27(46)29(48)34(52-20)56-32-28(47)25(44)21(12-37)53-35(32)55-31-26(45)22(13-51-23(42)6-3-14-1-4-16(38)18(40)9-14)54-33(30(31)49)50-8-7-15-2-5-17(39)19(41)10-15/h1-6,9-10,20-22,24-41,43-49H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26-,27+,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C35H46O21,pos_1_1proton1ammonium,802.253158492,JGGVWWZQGUNVGF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],7,3,8.5
7072,2394,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OJOIQCBJNAZMFK-GKGNPJLLSA-N,"InChI=1S/C35H46O21/c36-11-20-24(44)26(46)28(48)33(51-20)55-31-30(54-23(43)6-3-14-1-4-16(39)18(41)9-14)22(13-38)53-35(50-8-7-15-2-5-17(40)19(42)10-15)32(31)56-34-29(49)27(47)25(45)21(12-37)52-34/h1-6,9-10,20-22,24-42,44-49H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26+,27+,28-,29-,30-,31+,32-,33+,34+,35-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO,C35H46O21,pos_1_1proton1ammonium,802.253158492,OJOIQCBJNAZMFK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],7,3,8.5
7073,2394,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OJOIQCBJNAZMFK-GKGNPJLLSA-N,"InChI=1S/C35H46O21/c36-11-20-24(44)26(46)28(48)33(51-20)55-31-30(54-23(43)6-3-14-1-4-16(39)18(41)9-14)22(13-38)53-35(50-8-7-15-2-5-17(40)19(42)10-15)32(31)56-34-29(49)27(47)25(45)21(12-37)52-34/h1-6,9-10,20-22,24-42,44-49H,7-8,11-13H2/b6-3+/t20-,21-,22-,24-,25-,26+,27+,28-,29-,30-,31+,32-,33+,34+,35-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](OCCc2ccc(O)c(O)c2)O[C@@H]1CO,C35H46O21,pos_1_1proton1ammonium,802.253158492,OJOIQCBJNAZMFK,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,3,8.5
7074,2391,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IQFDAOLIRBRVJU-BRNZMSAPSA-N,"InChI=1S/C27H36O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,16,22-24,29H,2,8,11-12,14-15,17-18H2,1,3-4H3/b19-13+/t22-,23-,24+,26+,27-/m1/s1",C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/C=O,C27H36O4,pos_1_minus1proton1iron,424.261359632,IQFDAOLIRBRVJU,Terpenoids,Diterpenoids,Labdane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,3,7.5
7075,2390,489,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.30295336,ISDB,ZSFBNUBMKXAEFD-QEHWCHDUSA-N,"InChI=1S/C10H17NO2/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H2,11,12)/b8-6+/t10-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)C(N)=O,C10H17NO2,,183.125928784,ZSFBNUBMKXAEFD,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Elelea concinna,3387469.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Coleoptera'],['Cerambycidae'],['Unknown'],['Elelea'],['Elelea concinna'],2,3,4.711813449859619
7076,2389,506,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.6714769,ISDB,BDYVQXUDPPIFCU-GRXVFXDSSA-N,"InChI=1S/C28H30O17/c1-9(29)42-26-19(35)15(34)7-40-28(26)41-8-17-20(36)22(38)23(39)27(44-17)45-25-21(37)18-14(33)5-11(30)6-16(18)43-24(25)10-2-3-12(31)13(32)4-10/h2-6,15,17,19-20,22-23,26-28,30-36,38-39H,7-8H2,1H3/t15-,17+,19-,20+,22-,23+,26+,27-,28-/m0/s1",CC(=O)O[C@H]1[C@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@H](O)[C@@H]1O,C28H30O17,,638.1482995,BDYVQXUDPPIFCU,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Meconopsis quintuplinervia,594027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis quintuplinervia'],1,3,5.185907602310181
7077,2388,-1,,,,0.0,MS1_match,SFCRZVSQIVWLKR-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3",CCCCC(C)CCOC(C)=O,C10H20O2,pos_2MHNH3,172.14632988,SFCRZVSQIVWLKR,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
7078,2388,-1,,,,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_2MHNH3,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
7079,2388,-1,,,,0.0,MS1_match,YYZUSRORWSJGET-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3",CCCCCCCC(=O)OCC,C10H20O2,pos_2MHNH3,172.14632988,YYZUSRORWSJGET,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
7080,2388,-1,,,,0.0,MS1_match,OAOABCKPVCUNKO-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-9(2)7-5-3-4-6-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)",CC(C)CCCCCCC(=O)O,C10H20O2,pos_2MHNH3,172.14632988,OAOABCKPVCUNKO,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Solanum pennellii,1069768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pennellii'],8,0,8.0
7081,2386,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7940474,ISDB,SFIHQZFZMWZOJV-HZJYTTRNSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],0,1,3.676189661026001
7082,2386,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7940474,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],0,1,3.676189661026001
7083,2383,-1,,,,0.45849654,ISDB,,,,,,,BFSRMICRNUJLCQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.8339861631393433
7084,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,BFKWILVOTONIQI-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,BFKWILVOTONIQI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,2,8.0
7085,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,QWCWFWSASCMKEX-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,QWCWFWSASCMKEX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,2,8.0
7086,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,ZBELSIALTHIOTO-HUFSBHEJSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)25(31)24(29)26(17)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24+,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,ZBELSIALTHIOTO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,2,8.0
7087,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,SXGKGXOUXRBQMQ-KIBXAYQRSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,SXGKGXOUXRBQMQ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,2,8.0
7088,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,2,8.0
7089,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,2,8.0
7090,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia wallichii,3912272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia wallichii'],7,2,8.0
7091,2382,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,LZNNPFFCMZVLLZ-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31-32H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,LZNNPFFCMZVLLZ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia kansuensis,3912731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansuensis'],7,2,8.0
7092,2378,-1,,,,0.0,MS1_match,MFWOJWBKCUMOEM-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C23H28O12,pos_1_1sodium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,0,7.0
7093,2378,-1,,,,0.0,MS1_match,MFWOJWBKCUMOEM-UHFFFAOYSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)",CC1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)C21,C23H28O12,pos_1_1sodium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,0,7.0
7094,2378,-1,,,,0.0,MS1_match,MFWOJWBKCUMOEM-UHFFFAOYSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)",CC1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)C21,C23H28O12,pos_1_1sodium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,0,7.0
7095,2378,-1,,,,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1sodium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,0,7.0
7096,2378,-1,,,,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1sodium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,0,7.0
7097,2378,-1,,,,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1sodium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,0,7.0
7098,2377,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.6597191,ISDB,MVHBVDNSPYDKJQ-UHFFFAOYSA-N,"InChI=1S/C15H22O3/c1-10(16)18-9-11-4-5-14-12(6-11)7-13(17)8-15(14,2)3/h6-7,13-14,17H,4-5,8-9H2,1-3H3",CC(=O)OCC1=CC2=CC(O)CC(C)(C)C2CC1,C15H22O3,,250.156894564,MVHBVDNSPYDKJQ,Terpenoids,Sesquiterpenoids,,Sedum sarmentosum,810620.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum sarmentosum'],1,1,4.138876438140869
7099,2376,-1,,,,0.0,MS1_match,JVERCROVANKHBR-RWJLKENHSA-N,"InChI=1S/C38H66O13/c1-18(2)25(49-35-32(30(44)26(16-39)50-35)51-34-31(45)29(43)27(47-6)17-48-34)8-7-19(3)21-14-23(41)33-37(21,5)12-10-28-36(4)11-9-20(40)13-22(36)24(42)15-38(28,33)46/h18-35,39-46H,7-17H2,1-6H3/t19-,20+,21-,22-,23+,24+,25+,26-,27-,28-,29+,30-,31-,32+,33-,34+,35+,36+,37-,38+/m1/s1",CO[C@@H]1CO[C@@H](O[C@@H]2[C@@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)C[C@@H]5[C@@H](O)C[C@]34O)C(C)C)O[C@H](CO)[C@H]2O)[C@H](O)[C@H]1O,C38H66O13,pos_2_2proton2acetonitrile,730.450342172,JVERCROVANKHBR,Terpenoids,Steroids,Cholestane steroids,Printzia polifolia,429567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Printzia'],['Printzia polifolia'],6,0,6.0
7100,2373,-1,,,,0.0,MS1_match,BFKWILVOTONIQI-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.256274252,BFKWILVOTONIQI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
7101,2373,-1,,,,0.0,MS1_match,QWCWFWSASCMKEX-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.2562742519999,QWCWFWSASCMKEX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
7102,2373,-1,,,,0.0,MS1_match,ZBELSIALTHIOTO-HUFSBHEJSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)25(31)24(29)26(17)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24+,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.256274252,ZBELSIALTHIOTO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
7103,2373,-1,,,,0.0,MS1_match,SXGKGXOUXRBQMQ-KIBXAYQRSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.2562742519999,SXGKGXOUXRBQMQ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
7104,2373,-1,,,,0.0,MS1_match,OMBNGHNNZSKBRK-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
7105,2373,-1,,,,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,0,8.0
7106,2373,-1,,,,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia wallichii,3912272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia wallichii'],8,0,8.0
7107,2373,-1,,,,0.0,MS1_match,HKPWYRCJCZALNK-RWZDKYSZSA-N,"InChI=1S/C29H36O5/c1-16-15-18-21(23(16)31)25(33)28(4)14-13-19-22(27(19,2)3)26(29(28,5)24(18)32)34-20(30)12-11-17-9-7-6-8-10-17/h6-12,16,19,22-23,25-26,31,33H,13-15H2,1-5H3/b12-11+/t16-,19-,22-,23-,25+,26+,28-,29-/m0/s1",C[C@H]1CC2=C([C@H]1O)[C@@H](O)[C@]1(C)CC[C@H]3[C@@H]([C@@H](OC(=O)/C=C/c4ccccc4)[C@]1(C)C2=O)C3(C)C,C29H36O5,pos_1_1proton1isopropanol,464.256274252,HKPWYRCJCZALNK,Terpenoids,Sesquiterpenoids,,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
7108,2373,-1,,,,0.0,MS1_match,LZNNPFFCMZVLLZ-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31-32H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton1isopropanol,464.256274252,LZNNPFFCMZVLLZ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia kansuensis,3912731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansuensis'],8,0,8.0
7109,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,3,9.5
7110,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
7111,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,3,9.5
7112,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
7113,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
7114,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
7115,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,3,9.5
7116,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
7117,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
7118,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
7119,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
7120,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
7121,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,3,9.5
7122,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
7123,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
7124,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
7125,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,3,9.5
7126,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
7127,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,3,9.5
7128,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
7129,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
7130,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
7131,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
7132,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,3,9.5
7133,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
7134,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,3,9.5
7135,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
7136,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,3,9.5
7137,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
7138,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
7139,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,3,9.5
7140,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
7141,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
7142,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,3,9.5
7143,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,3,9.5
7144,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
7145,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1proton1ammonium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
7146,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,3,9.5
7147,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,9.5
7148,2370,634,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1proton1ammonium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
7149,2368,-1,,,,0.33075997,ISDB,JODSXMBDAMZIDL-HXYPBPKPSA-N,"InChI=1S/C23H22O13/c24-12-3-1-10(5-13(12)25)2-4-18(29)35-17-9-23(34,22(32)33)8-16(28)20(17)36-21(31)11-6-14(26)19(30)15(27)7-11/h1-7,16-17,20,24-28,30,34H,8-9H2,(H,32,33)/b4-2+/t16-,17-,20-,23+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1,C23H22O13,,506.10604076399983,JODSXMBDAMZIDL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Manilkara zapota,208052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Sapotaceae'],['Unknown'],['Manilkara'],['Manilkara zapota'],4,0,5.323039889335632
7150,2367,925,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.40001544,ISDB,AXMVYSVVTMKQSL-OWOJBTEDSA-N,"InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H/b2-1+",O=C/C=C/c1ccc(O)c(O)c1,C9H8O3,,164.047344116,AXMVYSVVTMKQSL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,3,7.100061774253845
7151,2366,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-BYXQHVMRSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18-,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
7152,2366,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone,262922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Unknown'],6,0,6.0
7153,2366,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
7154,2366,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-BYXQHVMRSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18-,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.111126144,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
7155,2366,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UHFFFAOYSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC2OC(CO)C(O)C(O)C2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Argemone,262922.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Unknown'],6,0,6.0
7156,2366,-1,,,,0.0,MS1_match,CQLRUIIRRZYHHS-UVHBULKNSA-N,"InChI=1S/C22H22O12/c1-31-12-4-8(2-3-10(12)25)20-21(17(28)15-11(26)5-9(24)6-13(15)32-20)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16+,18+,19-,22+/m1/s1",COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)ccc1O,C22H22O12,pos_1_1proton1ethylamine,478.1111261439998,CQLRUIIRRZYHHS,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
7157,2364,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6381828,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Vogtia annua,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],6,2,9.552731275558472
7158,2364,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6381828,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Tanacetum parthenium,488828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum parthenium'],6,2,9.552731275558472
7159,2364,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.6381828,ISDB,MMSLOZQEMPDGPI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-8(2)10-6-4-9(3)5-7-10/h4-7H,1H2,2-3H3",C=C(C)c1ccc(C)cc1,C10H12,,132.093900384,MMSLOZQEMPDGPI,Terpenoids,Monoterpenoids,,Tanacetum annuum,3899201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum annuum'],6,2,9.552731275558472
7160,2359,-1,,,,0.28351453,ISDB,,,,,,,PKIDXTUMFXTACR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1340581178665161
7161,2358,-1,,,,0.0,MS1_match,VTYALRCJZUQYGF-WJPDVHSPSA-N,"InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h9-14,16-17,20,23-24,26-27,29,35,37H,7-8,15,18H2,1-6H3/b10-9+,12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCC/C=C/C=C\C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H42O7,pos_1_1sodium,538.293053684,VTYALRCJZUQYGF,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia rigida,535724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia rigida'],7,0,7.0
7162,2358,-1,,,,0.0,MS1_match,VTYALRCJZUQYGF-WJPDVHSPSA-N,"InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h9-14,16-17,20,23-24,26-27,29,35,37H,7-8,15,18H2,1-6H3/b10-9+,12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCC/C=C/C=C\C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H42O7,pos_1_1sodium,538.293053684,VTYALRCJZUQYGF,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
7163,2356,-1,,,,0.6841885,ISDB,LASMTIIWUCJLEH-JZYAIQKZSA-N,"InChI=1S/C16H18O8/c17-6-11-13(20)14(21)15(22)16(24-11)23-10-5-4-8(18)7-2-1-3-9(19)12(7)10/h1-5,11,13-22H,6H2/t11-,13-,14+,15-,16+/m1/s1",OC[C@H]1O[C@H](Oc2ccc(O)c3cccc(O)c23)[C@H](O)[C@@H](O)[C@@H]1O,C16H18O8,,338.100167536,LASMTIIWUCJLEH,Polyketides,Naphthalenes,Naphthalenes and derivatives,Plumbago europaea,234939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Plumbaginaceae'],['Unknown'],['Plumbago'],['Plumbago europaea'],5,0,7.736753940582275
7164,2350,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_1proton1ethylamine,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7165,2347,-1,,,,0.0,MS1_match,YATGOOKAKMOJRD-VSMZHVHMSA-N,"InChI=1S/C28H42O5/c1-15-12-24(33-25(31)16(15)2)28(5,32)22-9-8-20-19-7-6-17-13-18(29)14-23(30)27(17,4)21(19)10-11-26(20,22)3/h6,18-24,29-30,32H,7-14H2,1-5H3/t18-,19+,20+,21+,22+,23+,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O5,pos_2MFe,458.303224444,YATGOOKAKMOJRD,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
7166,2347,-1,,,,0.0,MS1_match,YATGOOKAKMOJRD-VSMZHVHMSA-N,"InChI=1S/C28H42O5/c1-15-12-24(33-25(31)16(15)2)28(5,32)22-9-8-20-19-7-6-17-13-18(29)14-23(30)27(17,4)21(19)10-11-26(20,22)3/h6,18-24,29-30,32H,7-14H2,1-5H3/t18-,19+,20+,21+,22+,23+,24-,26+,27+,28-/m1/s1",CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O5,pos_2MFe,458.303224444,YATGOOKAKMOJRD,Terpenoids,Steroids,Ergostane steroids,Eriolarynx australis,974489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Iochroma'],['Iochroma australe'],6,0,6.0
7167,2347,-1,,,,0.0,MS1_match,FYYIHVSEGVWNCF-RMDUJBCISA-N,"InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19-,21+,22-,23-,24+,25-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H42O5,pos_2MFe,458.303224444,FYYIHVSEGVWNCF,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,0,6.0
7168,2347,-1,,,,0.0,MS1_match,FYYIHVSEGVWNCF-UHFFFAOYSA-N,"InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3",CC1=C(CO)C(=O)OC(C(C)C2CCC3C4CC=C5CC(O)CC(O)C5(C)C4CCC23C)C1,C28H42O5,pos_2MFe,458.303224444,FYYIHVSEGVWNCF,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,0,6.0
7169,2347,-1,,,,0.0,MS1_match,XCTOBLHHCFPFHM-RUQYMKAZSA-N,"InChI=1S/C28H42O5/c1-14-12-21(32-25(31)15(14)2)16(3)18-6-7-19-17-13-24-28(33-24)23(30)9-8-22(29)27(28,5)20(17)10-11-26(18,19)4/h14-21,23-24,30H,6-13H2,1-5H3/t14-,15+,16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45[C@@H](O)CCC(=O)[C@]5(C)[C@H]3CC[C@]12C)[C@H]1C[C@H](C)[C@@H](C)C(=O)O1,C28H42O5,pos_2MFe,458.303224444,XCTOBLHHCFPFHM,Terpenoids,Steroids,Ergostane steroids,Vassobia breviflora,950238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Vassobia'],['Vassobia breviflora'],6,0,6.0
7170,2347,-1,,,,0.0,MS1_match,MBFORAZENPTBNT-FIWDOQIISA-N,"InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)19-9-10-27(3)21(19)7-8-23-22(27)6-5-17-12-18(30)13-25(31)28(17,23)4/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19+,21+,22+,23-,24+,25-,27+,28-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@H]3CC=C3C[C@@H](O)C[C@H](O)[C@@]32C)C1,C28H42O5,pos_2MFe,458.3032244439999,MBFORAZENPTBNT,Terpenoids,Steroids,Ergostane steroids,Physalis pubescens,751072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis pubescens'],6,0,6.0
7171,2347,-1,,,,0.0,MS1_match,VWAWMGXCAPZVKB-FCOYGKICSA-N,"InChI=1S/C44H72O18/c1-18-7-10-44(56-16-18)19(2)30-27(62-44)12-23-21-6-5-20-11-26(24(47)13-43(20,4)22(21)8-9-42(23,30)3)57-40-35(53)33(51)37(29(15-46)59-40)60-41-36(54)38(32(50)28(14-45)58-41)61-39-34(52)31(49)25(48)17-55-39/h18-41,45-54H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+,28-,29-,30+,31+,32-,33-,34-,35-,36-,37+,38+,39+,40-,41+,42+,43+,44-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C44H72O18,pos_2_2proton2acetonitrile,888.471865464,VWAWMGXCAPZVKB,Terpenoids,Steroids,Spirostane steroids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
7172,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],7,0,7.0
7173,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],7,0,7.0
7174,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],7,0,7.0
7175,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],7,0,7.0
7176,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],7,0,7.0
7177,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],7,0,7.0
7178,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,0,7.0
7179,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,0,7.0
7180,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paederota lutea,79010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Paederota'],['Paederota lutea'],7,0,7.0
7181,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],7,0,7.0
7182,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,0,7.0
7183,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,0,7.0
7184,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],7,0,7.0
7185,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],7,0,7.0
7186,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],7,0,7.0
7187,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],7,0,7.0
7188,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],7,0,7.0
7189,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,0,7.0
7190,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,0,7.0
7191,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Paederota lutea,79010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Paederota'],['Paederota lutea'],7,0,7.0
7192,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],7,0,7.0
7193,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,0,7.0
7194,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-UHFFFAOYSA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.142426272,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],7,0,7.0
7195,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,0,7.0
7196,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],7,0,7.0
7197,2346,-1,,,,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],7,0,7.0
7198,2345,582,,,,0.76999193,ISDB,,,,,,,AYEGWZGUAQDVNB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.079967737197876
7199,2343,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,FXFBVZOJVHCEDO-FHKSGDNWSA-N,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1",O[C@H]1[C@H](O)[C@@H](O)[C@@]2(O)CC[C@@H]1N2,C7H13NO4,pos_1_1proton,175.084457896,FXFBVZOJVHCEDO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7200,2343,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,LVHBHZANLOWSRM-UHFFFAOYSA-N,"InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)",C=C(CC(=O)O)C(=O)O,C5H6O4,pos_1_1proton1ethylamine,130.026608672,LVHBHZANLOWSRM,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7201,2342,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,RSWGJHLUYNHPMX-ONCXSQPRSA-N,"InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1,C20H30O2,pos_1_1proton1methanol,302.2245802,RSWGJHLUYNHPMX,Terpenoids,Diterpenoids,Abietane diterpenoids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7202,2341,-1,,,,0.35886165,ISDB,CFLMJAYCNVKZHG-WIVXBSKCSA-N,"InChI=1S/C25H34O3/c1-7-13-24-20(10-8-17(2)3)19(6)9-11-21(24)25(14-12-18(4)5)23(15-22(24)26)27-16-28-25/h7-9,12,15,20-21H,1,10-11,13-14,16H2,2-6H3/t20-,21+,24-,25+/m1/s1",C=CC[C@]12C(=O)C=C3OCO[C@@]3(CC=C(C)C)[C@H]1CC=C(C)[C@H]2CC=C(C)C,C25H34O3,,382.250794948,CFLMJAYCNVKZHG,Polyketides,Meroterpenoids,Polyprenylated cyclic polyketides (Hop meroterpenoids),Illicium anisatum,1059410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Austrobaileyales'],['Schisandraceae'],['Unknown'],['Illicium'],['Illicium anisatum'],4,0,5.435446619987488
7203,2339,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
7204,2339,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,pos_1_1proton,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
7205,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHUBSJRBOQIZNI-UHFFFAOYSA-N,"InChI=1S/C9H12O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,10-11H,4-5H2,1H3",COc1cc(CCO)ccc1O,C9H12O3,pos_2MH,168.078644244,XHUBSJRBOQIZNI,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,1,7.5
7206,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,QJZRVRVZRIXGMR-UHFFFAOYSA-N,"InChI=1S/C15H16O5/c1-9(2)6-7-19-15-11(18-3)8-10-4-5-12(16)20-14(10)13(15)17/h4-6,8,17H,7H2,1-3H3",COc1cc2ccc(=O)oc2c(O)c1OCC=C(C)C,C15H16O5,pos_1_1proton1isopropanol,276.099773612,QJZRVRVZRIXGMR,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Flourensia thurifera,7051559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Flourensia'],['Flourensia thurifera'],6,3,7.5
7207,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FMXSCHCLGOEVNM-CYBMUJFWSA-N,"InChI=1S/C15H16O5/c1-15(2)13(20-15)8-18-12-7-10-9(6-11(12)17-3)4-5-14(16)19-10/h4-7,13H,8H2,1-3H3/t13-/m1/s1",COc1cc2ccc(=O)oc2cc1OC[C@H]1OC1(C)C,C15H16O5,pos_1_1proton1isopropanol,276.099773612,FMXSCHCLGOEVNM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon balansae,5920999.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon balansae'],6,3,7.5
7208,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FMXSCHCLGOEVNM-CYBMUJFWSA-N,"InChI=1S/C15H16O5/c1-15(2)13(20-15)8-18-12-7-10-9(6-11(12)17-3)4-5-14(16)19-10/h4-7,13H,8H2,1-3H3/t13-/m1/s1",COc1cc2ccc(=O)oc2cc1OC[C@H]1OC1(C)C,C15H16O5,pos_1_1proton1isopropanol,276.099773612,FMXSCHCLGOEVNM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon virgatum,4727387.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon virgatum'],6,3,7.5
7209,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FMXSCHCLGOEVNM-CYBMUJFWSA-N,"InChI=1S/C15H16O5/c1-15(2)13(20-15)8-18-12-7-10-9(6-11(12)17-3)4-5-14(16)19-10/h4-7,13H,8H2,1-3H3/t13-/m1/s1",COc1cc2ccc(=O)oc2cc1OC[C@H]1OC1(C)C,C15H16O5,pos_1_1proton1isopropanol,276.099773612,FMXSCHCLGOEVNM,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon alopecuroides,5920997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon alopecuroides'],6,3,7.5
7210,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,NTYKRQIXCOEXST-NSHDSACASA-N,"InChI=1S/C15H16O5/c1-15(2)11(20-15)8-18-10-6-4-9-5-7-12(16)19-13(9)14(10)17-3/h4-7,11H,8H2,1-3H3/t11-/m0/s1",COc1c(OC[C@@H]2OC2(C)C)ccc2ccc(=O)oc12,C15H16O5,pos_1_1proton1isopropanol,276.099773612,NTYKRQIXCOEXST,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia laciniata,821712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia laciniata'],6,3,7.5
7211,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,KFAKUXNOLDEZAV-LLVKDONJSA-N,"InChI=1S/C15H16O5/c1-9(2)11(16)8-19-14-7-12-10(6-13(14)18-3)4-5-15(17)20-12/h4-7,11,16H,1,8H2,2-3H3/t11-/m1/s1",C=C(C)[C@H](O)COc1cc2oc(=O)ccc2cc1OC,C15H16O5,pos_1_1proton1isopropanol,276.099773612,KFAKUXNOLDEZAV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon polystachyum,5921003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon polystachyum'],6,3,7.5
7212,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,KFAKUXNOLDEZAV-LLVKDONJSA-N,"InChI=1S/C15H16O5/c1-9(2)11(16)8-19-14-7-12-10(6-13(14)18-3)4-5-15(17)20-12/h4-7,11,16H,1,8H2,2-3H3/t11-/m1/s1",C=C(C)[C@H](O)COc1cc2oc(=O)ccc2cc1OC,C15H16O5,pos_1_1proton1isopropanol,276.099773612,KFAKUXNOLDEZAV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon virgatum,4727387.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon virgatum'],6,3,7.5
7213,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHBFZZFIFOBODD-UHFFFAOYSA-N,"InChI=1S/C15H16O5/c1-10(9-16)5-6-19-14-8-12-11(7-13(14)18-2)3-4-15(17)20-12/h3-5,7-8,16H,6,9H2,1-2H3",COc1cc2ccc(=O)oc2cc1OCC=C(C)CO,C15H16O5,pos_1_1proton1isopropanol,276.099773612,XHBFZZFIFOBODD,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon polystachyum,5921003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon polystachyum'],6,3,7.5
7214,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,PQNRUXWYSRNGIZ-LLVKDONJSA-N,"InChI=1S/C15H16O5/c1-9(2)11(16)8-19-14-6-10-4-5-15(17)20-12(10)7-13(14)18-3/h4-7,11,16H,1,8H2,2-3H3/t11-/m1/s1",C=C(C)[C@H](O)COc1cc2ccc(=O)oc2cc1OC,C15H16O5,pos_1_1proton1isopropanol,276.099773612,PQNRUXWYSRNGIZ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon polystachyum,5921003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon polystachyum'],6,3,7.5
7215,2338,362,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,GMMBRTQVBAGPHK-UHFFFAOYSA-N,"InChI=1S/C15H16O5/c1-9(2)6-7-19-12-8-11-10(4-5-13(16)20-11)14(17)15(12)18-3/h4-6,8,17H,7H2,1-3H3",COc1c(OCC=C(C)C)cc2oc(=O)ccc2c1O,C15H16O5,pos_1_1proton1isopropanol,276.09977361200004,GMMBRTQVBAGPHK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Psiadia dentata,373855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Psiadia'],['Psiadia dentata'],6,3,7.5
7216,2336,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.7415445,ISDB,KQBASRSRJMDOBH-GOSISDBHSA-N,"InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-18-13-17-14-19(23-2)15-21(22)20(17)16-24-18/h14-15,18,22H,3-13,16H2,1-2H3/t18-/m1/s1",CCCCCCCCCCC[C@@H]1Cc2cc(OC)cc(O)c2CO1,C21H34O3,,334.250794948,KQBASRSRJMDOBH,Polyketides,Chromanes,Azaphilones,Ononis natrix,1072855.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Trifolieae'],['Ononis'],['Ononis natrix'],4,0,6.966177940368652
7217,2335,-1,,,,0.0,MS1_match,MHSNFBCADMKSGM-ZLOPVZDYSA-N,"InChI=1S/C36H50O17/c1-15(2)9-23(39)51-27-30(50-21(13-37)26(36(27,48)31(45)46)52-32-35(47,14-38)25(41)29(44)53-32)49-18-10-19(28(42)43)20-7-8-34-11-17(16(3)24(34)40)5-6-22(34)33(20,4)12-18/h15,17-22,24,26-27,30,32,37-38,40,47-48H,3,5-14H2,1-2,4H3,(H,42,43)(H,45,46)/t17-,18-,19-,20-,21-,22+,24-,26-,27+,30-,32+,33-,34-,35-,36-/m1/s1",C=C1[C@@H]2CC[C@H]3[C@]4(C)C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@H]6OC(=O)C(=O)[C@]6(O)CO)[C@](O)(C(=O)O)[C@H]5OC(=O)CC(C)C)C[C@@H](C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O,C36H50O17,pos_1_1sodium,754.30480014,MHSNFBCADMKSGM,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0
7218,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia arborea,5727911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia arborea'],6,0,6.0
7219,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,0,6.0
7220,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis balansae,6130292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis balansae'],6,0,6.0
7221,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,0,6.0
7222,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,0,6.0
7223,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis orthopoda,6130503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis orthopoda'],6,0,6.0
7224,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,0,6.0
7225,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Pteridophyllum racemosum,778816.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pteridophyllum'],['Pteridophyllum racemosum'],6,0,6.0
7226,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver croceum,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,0,6.0
7227,2334,-1,,,,0.0,MS1_match,YKFHPKQJKJQLCZ-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-22-20-17-11(4-5-14-19(17)26-9-23-14)12-3-2-10-6-15-16(25-8-24-15)7-13(10)18(12)21-20/h2-7H,8-9H2,1H3",COc1nc2c3cc4c(cc3ccc2c2ccc3c(c12)OCO3)OCO4,C20H13NO5,pos_1_1proton,347.079372516,YKFHPKQJKJQLCZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,0,6.0
7228,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,0,6.0
7229,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,6.0
7230,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia frutescens,1030285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia frutescens'],6,0,6.0
7231,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,6.0
7232,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,0,6.0
7233,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,0,6.0
7234,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,0,6.0
7235,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,0,6.0
7236,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,0,6.0
7237,2334,-1,,,,0.0,MS1_match,UFHGABBBZRPRJV-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7H,8-9H2,1H3",Cn1c(=O)c2c3c(ccc2c2ccc4cc5c(cc4c21)OCO5)OCO3,C20H13NO5,pos_1_1proton,347.079372516,UFHGABBBZRPRJV,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,0,6.0
7238,2334,-1,,,,0.0,MS1_match,YKFHPKQJKJQLCZ-UHFFFAOYSA-N,"InChI=1S/C20H13NO5/c1-22-20-17-11(4-5-14-19(17)26-9-23-14)12-3-2-10-6-15-16(25-8-24-15)7-13(10)18(12)21-20/h2-7H,8-9H2,1H3",COc1nc2c3cc4c(cc3ccc2c2ccc3c(c12)OCO3)OCO4,C20H13NO5,pos_1_1proton,347.079372516,YKFHPKQJKJQLCZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
7239,2331,-1,,,,0.0,MS1_match,AAWUBULPPJPQDA-HRHJAXJRSA-N,"InChI=1S/C30H46O5/c1-18(10-9-13-26(2,3)35-34)19-11-15-29(7)25-20(31)16-22-27(4,5)23(33)12-14-28(22,6)24(25)21(32)17-30(19,29)8/h9,13,18-19,22-23,33-34H,10-12,14-17H2,1-8H3/b13-9+/t18-,19-,22-,23-,28-,29+,30-/m0/s1",C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O,C30H46O5,pos_1_minus1proton1iron,486.3345245719999,AAWUBULPPJPQDA,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
7240,2329,-1,,,,0.0,MS1_match,CCISAWUQSGDVAV-ZPWLBISPSA-N,"InChI=1S/C19H20O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h10-13,19H,14-16H2,1-3H3/b11-10+,13-12+/t19-/m1/s1",CC#CC#CC#C/C=C/C=C/C[C@H](CCOC(C)=O)OC(C)=O,C19H20O4,pos_1_1proton,312.13615912,CCISAWUQSGDVAV,Fatty acids,Fatty esters,Wax monoesters,Centaurea deusta,720460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deusta'],7,0,7.0
7241,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Arctium minus,756713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium minus'],7,0,7.0
7242,2329,-1,,,,0.0,MS1_match,CCISAWUQSGDVAV-ZPWLBISPSA-N,"InChI=1S/C19H20O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h10-13,19H,14-16H2,1-3H3/b11-10+,13-12+/t19-/m1/s1",CC#CC#CC#C/C=C/C=C/C[C@H](CCOC(C)=O)OC(C)=O,C19H20O4,pos_1_1proton,312.13615912,CCISAWUQSGDVAV,Fatty acids,Fatty esters,Wax monoesters,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],7,0,7.0
7243,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7244,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7245,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
7246,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
7247,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7248,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
7249,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Arctium minus,756713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium minus'],7,0,7.0
7250,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
7251,2329,-1,,,,0.0,MS1_match,NNDHDYDFEDRMGH-ZPGZUGTNSA-N,"InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(35)17-9-7-8-10-20(17)33)12-11-22(39-3)31-19-13-18-21(38-2)14-30(36,23(19)24(18)40-4)32(37,28(31)34)26(41-5)25(29)31/h7-10,18-19,21-26,28,36-37H,6,11-16,33H2,1-5H3/t18-,19?,21+,22+,23?,24+,25?,26+,28?,29+,30-,31+,32+/m1/s1",CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@]34C5C[C@@H]6[C@@H](OC)C[C@@](O)(C5[C@H]6OC)[C@@](O)(C13)[C@@H](OC)C24,C32H46N2O8,pos_2_1calcium,586.325416432,NNDHDYDFEDRMGH,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7252,2326,-1,,,,0.6093566,ISDB,YZBZORUZOSCZRN-YWHLHSFDSA-N,"InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14?/t16-/m0/s1",CC/C=C\C[C@@H]1OC1=C/C=C\CCCCCCCC(=O)O,C18H28O3,,292.203844756,YZBZORUZOSCZRN,Fatty acids,Octadecanoids,Other Octadecanoids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,0,4.437426328659058
7253,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
7254,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
7255,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
7256,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
7257,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
7258,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
7259,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
7260,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
7261,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1proton,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
7262,2325,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
7263,2323,-1,,,,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
7264,2323,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0
7265,2323,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0
7266,2323,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
7267,2323,-1,,,,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
7268,2323,-1,,,,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
7269,2323,-1,,,,0.0,MS1_match,VSYLEWGIVLSDIY-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3",CC1=C(CCC(C)O)C(C)(C)CCC1,C13H24O,pos_1_minus1proton2sodium,196.182715388,VSYLEWGIVLSDIY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
7270,2323,-1,,,,0.0,MS1_match,PQCDGQHNORPNBR-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3",CC(=O)CCC1C(C)CCCC1(C)C,C13H24O,pos_1_minus1proton2sodium,196.182715388,PQCDGQHNORPNBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
7271,2320,-1,,,,0.0,MS1_match,FMMBDZGNMFRGMV-RKSFUGBBSA-N,"InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/t16-,20-,22+,23-,26+,27-/m1/s1",C[C@@](O)(CC(=O)O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C27H28O16,pos_1_1proton1methanol,608.137734816,FMMBDZGNMFRGMV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,8.0
7272,2319,109,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.8148456,ISDB,MWAYRGBWOVHDDZ-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-3-14-10(12)7-4-5-8(11)9(6-7)13-2/h4-6,11H,3H2,1-2H3",CCOC(=O)c1ccc(O)c(OC)c1,C10H12O4,,196.073558864,MWAYRGBWOVHDDZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,3,5.759382486343384
7273,2318,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1ethylamine,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7274,2318,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1ethylamine,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7275,2318,-1,,,,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1proton1ethylamine,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7276,2317,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.23050237,ISDB,QUWXRNSZOIJARN-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8-6-14(18)11(7-13(8)17)10(3)12(16)5-4-9(2)15/h4-7,10,12,16-18H,1-3H3",CC(=O)C=CC(O)C(C)c1cc(O)c(C)cc1O,C14H18O4,,250.120509056,QUWXRNSZOIJARN,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.422009468078613
7277,2314,-1,,,,0.0,MS1_match,HCIVBTCBTDTJFG-LXWFBSONSA-N,"InChI=1S/C33H32O15/c1-42-21-10-15(11-22(43-2)27(21)37)4-9-25(36)45-14-24-28(38)30(40)31(41)33(48-24)47-23-13-20-26(29(39)32(23)44-3)18(35)12-19(46-20)16-5-7-17(34)8-6-16/h4-13,24,28,30-31,33-34,37-41H,14H2,1-3H3/b9-4+/t24-,28-,30+,31-,33-/m0/s1",COc1cc(/C=C/C(=O)OC[C@@H]2O[C@H](Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3OC)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C33H32O15,pos_1_1proton1ethylamine,668.174120324,HCIVBTCBTDTJFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Rhaponticoides africana,1066133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea africana'],7,0,7.0
7278,2314,-1,,,,0.0,MS1_match,HCIVBTCBTDTJFG-LXWFBSONSA-N,"InChI=1S/C33H32O15/c1-42-21-10-15(11-22(43-2)27(21)37)4-9-25(36)45-14-24-28(38)30(40)31(41)33(48-24)47-23-13-20-26(29(39)32(23)44-3)18(35)12-19(46-20)16-5-7-17(34)8-6-16/h4-13,24,28,30-31,33-34,37-41H,14H2,1-3H3/b9-4+/t24-,28-,30+,31-,33-/m0/s1",COc1cc(/C=C/C(=O)OC[C@@H]2O[C@H](Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3OC)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C33H32O15,pos_1_1proton1ethylamine,668.174120324,HCIVBTCBTDTJFG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea africana,1066133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea africana'],7,0,7.0
7279,2313,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6658324,ISDB,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,1,9.163329601287842
7280,2311,-1,,,,0.3843399,ISDB,DSAQEKCHLYCMIR-OBOQMHEISA-N,"InChI=1S/C19H26O5/c1-11-10-19(5)12(2)8-16(23-13(3)20)9-15(19)6-7-17(22)18(11)24-14(4)21/h9-10,12,16,18H,6-8H2,1-5H3/b11-10-/t12-,16-,18-,19+/m0/s1",CC(=O)O[C@@H]1C=C2CCC(=O)[C@@H](OC(C)=O)/C(C)=C\[C@]2(C)[C@@H](C)C1,C19H26O5,,334.178023932,DSAQEKCHLYCMIR,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Lemnalia africana,4713425.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia africana'],2,0,3.537359595298767
7281,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea racemosa,512702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea racemosa'],5,0,6.52653169631958
7282,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UHFFFAOYSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)",O=C(C=Cc1ccc(O)c(O)c1)OC(C(=O)O)C(O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.084911396,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea dahurica,462227.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea dahurica'],5,0,6.52653169631958
7283,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],5,0,6.52653169631958
7284,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea cimicifuga,988720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea cimicifuga'],5,0,6.52653169631958
7285,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea elata,988729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea elata'],5,0,6.52653169631958
7286,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea japonica,988749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea japonica'],5,0,6.52653169631958
7287,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Actaea heracleifolia,988745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea heracleifolia'],5,0,6.52653169631958
7288,2310,-1,,,,0.38163292,ISDB,ACYXDIZTQDLTCB-UVIKLTKHSA-N,"InChI=1S/C20H18O11/c21-12-4-1-10(7-14(12)23)3-6-16(25)31-17(18(26)27)20(30,19(28)29)9-11-2-5-13(22)15(24)8-11/h1-8,17,21-24,30H,9H2,(H,26,27)(H,28,29)/b6-3+/t17-,20-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccc(O)c(O)c1)C(=O)O,C20H18O11,,434.0849113959998,ACYXDIZTQDLTCB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cimicifuga simplex,512693.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Cimicifugeae'],['Actaea'],['Actaea simplex'],5,0,6.52653169631958
7289,2309,221,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,WBBHYMRWGHBXLS-BQYQJAHWSA-N,"InChI=1S/C15H14O3/c1-18-14-10-12(9-13(16)15(14)17)8-7-11-5-3-2-4-6-11/h2-10,16-17H,1H3/b8-7+",COc1cc(/C=C/c2ccccc2)cc(O)c1O,C15H14O3,pos_1_1proton,242.094294308,WBBHYMRWGHBXLS,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],6,0,6.0
7290,2306,-1,,,,0.0,MS1_match,UIIZHPJVPKARSE-GFLQDLJJSA-N,"InChI=1S/C22H22O5/c1-11-9-16(23)19-13(3)21(24)27-20(19)18-12(2)17(10-15(11)18)26-22(25)14-7-5-4-6-8-14/h4-8,15-20,23H,1-3,9-10H2/t15-,16-,17-,18-,19+,20+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)c4ccccc4)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C22H22O5,pos_2MMg,366.146723804,UIIZHPJVPKARSE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
7291,2303,-1,,,,0.38507482,ISDB,GKUSRUNEHWJUSA-XQEGXIPOSA-N,"InChI=1S/C30H48O4/c1-19(10-9-14-26(2,3)34-33)20-11-17-30(8)25-21(12-16-29(20,30)7)28(6)15-13-24(32)27(4,5)23(28)18-22(25)31/h9,14,19-20,23-24,32-33H,10-13,15-18H2,1-8H3/b14-9+/t19-,20-,23-,24-,28+,29-,30+/m0/s1",C[C@@H](C/C=C/C(C)(C)OO)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O,C30H48O4,,472.35526001599993,GKUSRUNEHWJUSA,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,9.54029929637909
7292,2302,62,Fatty acids,Fatty esters,Branched fatty acids,0.961348,ISDB,FUJLYHJROOYKRA-QGZVFWFLSA-N,"InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1",CCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C,C19H37NO4,,343.272258664,FUJLYHJROOYKRA,Fatty acids,Fatty esters,Fatty acyl carnitines,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,2,6.8453919887542725
7293,2301,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton1isopropanol,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7294,2301,-1,,,,0.0,MS1_match,RTEDIEITOBJPNI-UHFFFAOYSA-N,"InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2",Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(O)C2c1c(O)cc(O)c2c1OC(c1cc(O)c(O)c(O)c1)C(O)C2,C30H26O14,pos_1_1proton1isopropanol,610.132255512,RTEDIEITOBJPNI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7295,2300,-1,,,,0.54981315,ISDB,BAHMQESJBKGPTE-UHFFFAOYSA-N,"InChI=1S/C15H14O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,6,13H,5H2,1-3H3",CC1=CC(=O)C2=C(C)CC3OC(=O)C(C)=C3C=C12,C15H14O3,,242.094294308,BAHMQESJBKGPTE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Taraxacum wallichii,7615198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum wallichii'],6,0,8.199252605438232
7296,2298,158,Polyketides,Naphthalenes,Flavanones,0.25849763,ISDB,GFDZIJNGYPUQEC-KRWDZBQOSA-N,"InChI=1S/C21H22O3/c1-13-4-11-20(24)21(2,3)17(13)8-6-14-5-7-15-16(12-14)19(23)10-9-18(15)22/h5,7,9-10,12,17H,1,4,6,8,11H2,2-3H3/t17-/m0/s1",C=C1CCC(=O)C(C)(C)[C@H]1CCc1ccc2c(c1)C(=O)C=CC2=O,C21H22O3,,322.156894564,GFDZIJNGYPUQEC,Polyketides,Naphthalenes,Naphthoquinones,Cordia curassavica,996833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Cordiaceae'],['Unknown'],['Cordia'],['Cordia curassavica'],4,2,6.033990502357483
7297,2294,554,Alkaloids,,,0.6198985,ISDB,,,,,,,MHXWDKFRPOVGGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4795939922332764
7298,2293,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.4421304,ISDB,SMOKZFNZPZHGMX-UHFFFAOYSA-N,"InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3",CC(=O)CCCCCCCCCCCCC1CCC(O)C(C)N1,C20H39NO2,,325.298079488,SMOKZFNZPZHGMX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cassia leptophylla,3916836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia leptophylla'],0,3,3.268521547317505
7299,2293,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.4421304,ISDB,SMOKZFNZPZHGMX-HSALFYBXSA-N,"InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3/t18-,19+,20-/m1/s1",CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C20H39NO2,,325.298079488,SMOKZFNZPZHGMX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],0,3,3.268521547317505
7300,2292,274,,,,0.3206074,ISDB,,,,,,,BIAPHSWNAZCRSO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.282429575920105
7301,2289,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-UHFFFAOYSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2",OCC1OC(OCCc2ccc(O)c(O)c2)C(O)C(O)C1O,C14H20O8,pos_1_1proton1ammonium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
7302,2289,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ammonium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],7,0,7.0
7303,2289,-1,,,,0.0,MS1_match,VQRDMNHWADLITK-UHFFFAOYSA-N,"InChI=1S/C14H20O8/c15-2-1-7-3-8(17)5-9(4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h3-5,10-20H,1-2,6H2",OCCc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1,C14H20O8,pos_1_1proton1ammonium,316.1158176,VQRDMNHWADLITK,,,,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],7,0,7.0
7304,2289,-1,,,,0.0,MS1_match,VMJSQSHKQAWVBB-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-2-1-7-3-8(16)5-9(17)4-7/h3-5,10-20H,1-2,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1proton1ammonium,316.1158176,VMJSQSHKQAWVBB,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],7,0,7.0
7305,2287,313,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1proton,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,2,10.0
7306,2286,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.7420644,ISDB,DZTHIGRZJZPRDV-UHFFFAOYSA-N,"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)",CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C13H14N2O3,,246.100442308,DZTHIGRZJZPRDV,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.468257665634155
7307,2286,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.7420644,ISDB,DZTHIGRZJZPRDV-LBPRGKRZSA-N,"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1",CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C13H14N2O3,,246.100442308,DZTHIGRZJZPRDV,Amino acids and Peptides,Small peptides,Dipeptides,Kali collinum,7049595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Kali'],['Kali collinum'],4,3,8.468257665634155
7308,2286,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.7420644,ISDB,DZTHIGRZJZPRDV-LBPRGKRZSA-N,"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1",CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C13H14N2O3,,246.100442308,DZTHIGRZJZPRDV,Amino acids and Peptides,Small peptides,Dipeptides,Salsola collina,544741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Salsoleae'],['Salsola'],['Salsola collina'],4,3,8.468257665634155
7309,2286,1098,Amino acids and Peptides,Small peptides,Dipeptides,0.7420644,ISDB,DZTHIGRZJZPRDV-UHFFFAOYSA-N,"InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18)",CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C13H14N2O3,,246.100442308,DZTHIGRZJZPRDV,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.468257665634155
7310,2284,-1,,,,0.79945403,ISDB,ZRTIXVFWMBBBCJ-LJOUCLAASA-N,"InChI=1S/C22H34O2/c1-14-12-22-13-16(14)7-8-17(22)21(5)10-6-9-20(3,4)18(21)11-19(22)24-15(2)23/h16-19H,1,6-13H2,2-5H3/t16-,17+,18-,19+,21+,22+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]3OC(C)=O,C22H34O2,,330.255880328,ZRTIXVFWMBBBCJ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Sideritis trojana,465619.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis trojana'],0,0,3.1978161334991455
7311,2284,-1,,,,0.79945403,ISDB,ZRTIXVFWMBBBCJ-LJOUCLAASA-N,"InChI=1S/C22H34O2/c1-14-12-22-13-16(14)7-8-17(22)21(5)10-6-9-20(3,4)18(21)11-19(22)24-15(2)23/h16-19H,1,6-13H2,2-5H3/t16-,17+,18-,19+,21+,22+/m1/s1",C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCCC(C)(C)[C@H]1C[C@@H]3OC(C)=O,C22H34O2,,330.255880328,ZRTIXVFWMBBBCJ,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Sideritis ferrensis,218364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis ferrensis'],0,0,3.1978161334991455
7312,2276,-1,,,,0.0,MS1_match,GAQMOGICQDOKHD-NSERFXOASA-N,"InChI=1S/C31H42O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(34)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24-28,34,36H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24-,25+,26+,27-,28-,31+/m0/s1",CC(=O)O[C@@H]1C[C@@H](O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C1(C)C,C31H42O8,pos_1_1proton1ethylamine,542.287968304,GAQMOGICQDOKHD,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7313,2276,-1,,,,0.0,MS1_match,STETZDTWJFKIHV-NSERFXOASA-N,"InChI=1S/C31H42O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24-28,34,36H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24-,25+,26+,27-,28-,31+/m0/s1",CC(=O)O[C@@H]1C[C@@H](O)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C\1C,C31H42O8,pos_1_1proton1ethylamine,542.287968304,STETZDTWJFKIHV,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7314,2276,-1,,,,0.0,MS1_match,LWFFLQLUYLCPTE-VXNKOOHPSA-N,"InChI=1S/C31H42O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24-28,34-35H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20+,24-,25+,26+,27-,28-,31+/m0/s1",CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O,C31H42O8,pos_1_1proton1ethylamine,542.287968304,LWFFLQLUYLCPTE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7315,2274,503,Terpenoids,Steroids,Ergostane steroids,0.34218308,ISDB,PGEJKFKAMOWOBK-ALCCZGGFSA-N,"InChI=1S/C27H38/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,5,7H,4,6,8-13,18-25H2,2H3/b7-5-",C#C/C=C\CCCC#CCCCCC#CCCCCC#CCCCCCC,C27H38,,362.297351216,PGEJKFKAMOWOBK,,,,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],2,0,3.3687323331832886
7316,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
7317,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
7318,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
7319,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
7320,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
7321,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
7322,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
7323,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
7324,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
7325,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
7326,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
7327,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
7328,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
7329,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
7330,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
7331,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
7332,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,0,8.0
7333,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
7334,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
7335,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
7336,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
7337,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
7338,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
7339,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
7340,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
7341,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
7342,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
7343,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
7344,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
7345,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
7346,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
7347,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
7348,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
7349,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,0,8.0
7350,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
7351,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
7352,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
7353,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
7354,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
7355,2270,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
7356,2269,50,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,pos_1_1sodium,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5
7357,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7358,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,GJRZFQZDUHIPAV-UHFFFAOYSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)66-33-32-30-18(7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)64-30)4-16(45)26(50)29(21)53)63-39(33)67-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)65-32)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2",O=C1OC2OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O)C3(O)O4)C2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,GJRZFQZDUHIPAV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7359,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WFWNGSCCGYXKPV-VIUILRJOSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(36(56)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23-,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@@H](O3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]3C1=CC(=O)C(O)(O)[C@@]3(O)O4)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,WFWNGSCCGYXKPV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7360,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WTKZYPVTAXZSEM-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)[C@]2(O)O3,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,WTKZYPVTAXZSEM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7361,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WTKZYPVTAXZSEM-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)[C@]2(O)O3,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,WTKZYPVTAXZSEM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7362,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,KTMJANHHXHZLEU-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-36(56)11-5-17(46)27(51)31-22(11)23-12(38(58)64-30)6-19(47)40(59,60)41(23,61)68-31/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)C(O)(O)[C@]3(O)O4)[C@@H]1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]2O1,C41H28O27,pos_1_1proton1ammonium,952.081795636,KTMJANHHXHZLEU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7363,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7364,2267,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LZWBAZIQHWROOC-UHFFFAOYSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(36(56)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2",O=C1OC2C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OCC(O3)C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O4)C3(O)O)C2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,LZWBAZIQHWROOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7365,2266,-1,,,,0.0,MS1_match,MSTZNVVCBOEAGA-ZZTPXLKCSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2/t12-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H20O6,pos_1_1proton1ammonium,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7366,2266,-1,,,,0.0,MS1_match,CFCUACRLPCNJDU-WYVHVMBXSA-N,"InChI=1S/C17H20O6/c1-6-10-5-11(22-9(4)18)7(2)12(10)16-13(15(20)14(6)19)8(3)17(21)23-16/h10-16,19-20H,1-3,5H2,4H3/t10-,11-,12-,13+,14+,15+,16+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](O)C(=C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@H]21,C17H20O6,pos_1_1proton1acetonitrile,320.12598836,CFCUACRLPCNJDU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
7367,2266,-1,,,,0.0,MS1_match,CFCUACRLPCNJDU-FYFPFLJLSA-N,"InChI=1S/C17H20O6/c1-6-10-5-11(22-9(4)18)7(2)12(10)16-13(15(20)14(6)19)8(3)17(21)23-16/h10-16,19-20H,1-3,5H2,4H3/t10-,11+,12-,13+,14+,15-,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]1[C@H](O)[C@H](O)C(=C)[C@@H]1C[C@@H](OC(C)=O)C(=C)[C@H]21,C17H20O6,pos_1_1proton1acetonitrile,320.12598836,CFCUACRLPCNJDU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kandavanensis,785659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kandavanensis'],7,0,7.0
7368,2266,-1,,,,0.0,MS1_match,CFCUACRLPCNJDU-UHFFFAOYSA-N,"InChI=1S/C17H20O6/c1-6-10-5-11(22-9(4)18)7(2)12(10)16-13(15(20)14(6)19)8(3)17(21)23-16/h10-16,19-20H,1-3,5H2,4H3",C=C1C(O)C(O)C2C(=C)C(=O)OC2C2C(=C)C(OC(C)=O)CC12,C17H20O6,pos_1_1proton1acetonitrile,320.12598836,CFCUACRLPCNJDU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea nicolai,7613260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nicolai'],7,0,7.0
7369,2266,-1,,,,0.0,MS1_match,IXMZSQBXOWYTOS-APLXINKASA-N,"InChI=1S/C17H20O6/c1-7-12(22-9(3)18)4-10-13(7)15-14(8(2)16(20)23-15)11(19)5-17(10)6-21-17/h10-15,19H,1-2,4-6H2,3H3/t10-,11+,12+,13+,14-,15-,17-/m1/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3[C@]3(CO3)C[C@H](O)[C@@H]12,C17H20O6,pos_1_1proton1acetonitrile,320.12598836,IXMZSQBXOWYTOS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
7370,2266,-1,,,,0.0,MS1_match,IXMZSQBXOWYTOS-AITDRUFRSA-N,"InChI=1S/C17H20O6/c1-7-12(22-9(3)18)4-10-13(7)15-14(8(2)16(20)23-15)11(19)5-17(10)6-21-17/h10-15,19H,1-2,4-6H2,3H3/t10-,11+,12+,13-,14-,15+,17+/m1/s1",C=C1C(=O)O[C@H]2[C@@H]3C(=C)[C@@H](OC(C)=O)C[C@H]3[C@@]3(CO3)C[C@H](O)[C@@H]12,C17H20O6,pos_1_1proton1acetonitrile,320.12598836,IXMZSQBXOWYTOS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea nicolai,7613260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nicolai'],7,0,7.0
7371,2266,-1,,,,0.0,MS1_match,DAUILYLMDJDJNB-WYVHVMBXSA-N,"InChI=1S/C17H20O6/c1-6-10-5-11(19)7(2)12(10)16-13(8(3)17(21)23-16)14(20)15(6)22-9(4)18/h10-16,19-20H,1-3,5H2,4H3/t10-,11-,12-,13+,14+,15+,16+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(C)=O)C(=C)[C@@H]1C[C@H](O)C(=C)[C@H]21,C17H20O6,pos_1_1proton1acetonitrile,320.12598836,DAUILYLMDJDJNB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea nicolai,7613260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nicolai'],7,0,7.0
7372,2266,-1,,,,0.0,MS1_match,CFCUACRLPCNJDU-WYVHVMBXSA-N,"InChI=1S/C17H20O6/c1-6-10-5-11(22-9(4)18)7(2)12(10)16-13(15(20)14(6)19)8(3)17(21)23-16/h10-16,19-20H,1-3,5H2,4H3/t10-,11-,12-,13+,14+,15+,16+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](O)C(=C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@H]21,C17H20O6,pos_1_1proton1acetonitrile,320.12598836,CFCUACRLPCNJDU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea ainetensis,7612808.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ainetensis'],7,0,7.0
7373,2266,-1,,,,0.0,MS1_match,MSTZNVVCBOEAGA-UHFFFAOYSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(=O)C(=C)C2C2OC(=O)C(=C)C12,C19H20O6,pos_1_1proton1ammonium,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara,991883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Unknown'],7,0,7.0
7374,2266,-1,,,,0.0,MS1_match,MSTZNVVCBOEAGA-ZZTPXLKCSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2/t12-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H20O6,pos_1_1proton1ammonium,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7375,2264,161,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,ITENTBHADJNDDH-DJTMHQFBSA-N,"InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1",O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O9,pos_1_1sodium,352.079432092,ITENTBHADJNDDH,Shikimates and Phenylpropanoids,,,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7376,2263,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
7377,2263,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,3,9.5
7378,2263,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FNMHEHXNBNCPCI-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3",CC1OC(OC2C(O)C(COC(=O)C=Cc3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,FNMHEHXNBNCPCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
7379,2263,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DTOUWTJYUCZJQD-UJERWXFOSA-N,"InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_1_1proton1ethylamine,624.205420452,DTOUWTJYUCZJQD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,3,9.5
7380,2263,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WLWAYPFRKDSFCL-CNMJWYMJSA-N,"InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C31H40O15,pos_1_1proton1ammonium,652.23672058,WLWAYPFRKDSFCL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
7381,2263,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WLWAYPFRKDSFCL-UHFFFAOYSA-N,"InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3",COc1ccc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1O,C31H40O15,pos_1_1proton1ammonium,652.23672058,WLWAYPFRKDSFCL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
7382,2263,1064,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WLWAYPFRKDSFCL-UHFFFAOYSA-N,"InChI=1S/C31H40O15/c1-15-24(36)25(37)26(38)31(43-15)46-29-27(39)30(42-11-10-17-5-8-20(40-2)19(34)12-17)44-22(14-32)28(29)45-23(35)9-6-16-4-7-18(33)21(13-16)41-3/h4-9,12-13,15,22,24-34,36-39H,10-11,14H2,1-3H3",COc1ccc(CCOC2OC(CO)C(OC(=O)C=Cc3ccc(O)c(OC)c3)C(OC3OC(C)C(O)C(O)C3O)C2O)cc1O,C31H40O15,pos_1_1proton1ammonium,652.23672058,WLWAYPFRKDSFCL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
7383,2261,119,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.9081428,ISDB,ASUSBMNYRHGZIG-UHFFFAOYSA-N,"InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3",CNCCc1c[nH]c2ccc(O)cc12,C11H14N2O,,190.110613068,ASUSBMNYRHGZIG,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Phyllodium pulchellum,964134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Desmodieae'],['Phyllodium'],['Phyllodium pulchellum'],4,3,9.13257122039795
7384,2261,119,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.9081428,ISDB,ASUSBMNYRHGZIG-UHFFFAOYSA-N,"InChI=1S/C11H14N2O/c1-12-5-4-8-7-13-11-3-2-9(14)6-10(8)11/h2-3,6-7,12-14H,4-5H2,1H3",CNCCc1c[nH]c2ccc(O)cc12,C11H14N2O,,190.110613068,ASUSBMNYRHGZIG,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],4,3,9.13257122039795
7385,2259,-1,,,,0.0,MS1_match,PBOGGKXMJHLCSV-SZPZYZBQSA-N,"InChI=1S/C28H38O8/c1-17(2)27(31)35-15-21(11-19-7-9-23(29)25(13-19)33-5)22(16-36-28(32)18(3)4)12-20-8-10-24(30)26(14-20)34-6/h7-10,13-14,17-18,21-22,29-30H,11-12,15-16H2,1-6H3/t21-,22+",COc1cc(C[C@@H](COC(=O)C(C)C)[C@@H](COC(=O)C(C)C)Cc2ccc(O)c(OC)c2)ccc1O,C28H38O8,pos_2MFe,502.256668176,PBOGGKXMJHLCSV,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Geigeria burkei,5794232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Geigeria'],['Geigeria burkei'],6,0,6.0
7386,2259,-1,,,,0.0,MS1_match,PTMHNNQOVURLID-ZFKNBDJCSA-N,"InChI=1S/C22H28O12/c1-8-4-3-5-10-14(8)11(6-13(23)32-10)33-20-9(2)31-22(19(28)17(20)26)30-7-12-15(24)16(25)18(27)21(29)34-12/h3-6,9,12,15-22,24-29H,7H2,1-2H3/t9-,12+,15+,16-,17-,18+,19+,20-,21+,22+/m0/s1",Cc1cccc2oc(=O)cc(O[C@@H]3[C@@H](O)[C@@H](O)[C@H](OC[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)O[C@H]3C)c12,C22H28O12,pos_1_1proton1ethylamine,484.158076336,PTMHNNQOVURLID,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Gerbera jamesonii,1021698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Gerbera'],['Gerbera jamesonii'],6,0,6.0
7387,2259,-1,,,,0.0,MS1_match,DBULDXXXNYFHIC-DPISPOOGSA-N,"InChI=1S/C22H28O12/c1-8-4-3-5-10-14(8)11(6-13(23)32-10)33-22-20(29)18(27)16(25)12(34-22)7-30-21-19(28)17(26)15(24)9(2)31-21/h3-6,9,12,15-22,24-29H,7H2,1-2H3/t9-,12+,15-,16+,17+,18-,19+,20+,21+,22+/m0/s1",Cc1cccc2oc(=O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c12,C22H28O12,pos_1_1proton1ethylamine,484.1580763359999,DBULDXXXNYFHIC,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Gerbera jamesonii,1021698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Gerbera'],['Gerbera jamesonii'],6,0,6.0
7388,2252,-1,,,,0.0,MS1_match,GEEMIHRZTIPPGJ-GQUPQBGVSA-N,"InChI=1S/C21H24O9/c22-11-16-17(25)18(26)19(30-20(27)13-3-7-15(24)8-4-13)21(29-16)28-10-9-12-1-5-14(23)6-2-12/h1-8,16-19,21-26H,9-11H2/t16-,17-,18+,19-,21-/m1/s1",O=C(O[C@H]1[C@H](OCCc2ccc(O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C21H24O9,pos_1_1proton1isopropanol,420.142032348,GEEMIHRZTIPPGJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
7389,2252,-1,,,,0.0,MS1_match,GEEMIHRZTIPPGJ-YRIDSSQKSA-N,"InChI=1S/C21H24O9/c22-11-16-17(25)18(26)19(30-20(27)13-3-7-15(24)8-4-13)21(29-16)28-10-9-12-1-5-14(23)6-2-12/h1-8,16-19,21-26H,9-11H2/t16-,17-,18+,19-,21+/m1/s1",O=C(O[C@H]1[C@@H](OCCc2ccc(O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(O)cc1,C21H24O9,pos_1_1proton1isopropanol,420.142032348,GEEMIHRZTIPPGJ,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
7390,2251,-1,,,,0.72205716,ISDB,,,,,,,YVWOGPJZTKNLJO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.88822865486145
7391,2249,-1,,,,0.0,MS1_match,JULUBRPGFQSYOZ-DDTRRZMPSA-N,"InChI=1S/C25H26O14/c26-10-3-1-9(2-4-10)14-5-11(27)17-15(37-14)6-16(20(32)21(17)33)38-25-23(19(31)13(29)8-36-25)39-24-22(34)18(30)12(28)7-35-24/h1-6,12-13,18-19,22-26,28-34H,7-8H2/t12-,13-,18+,19+,22+,23+,24+,25+/m0/s1",O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)c(O)c(O)c12,C25H26O14,pos_2_2proton2acetonitrile,550.132255512,JULUBRPGFQSYOZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stenophylla,5800650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stenophylla'],8,0,8.0
7392,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper sintenense,5478628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sintenense'],0,1,2.165312886238098
7393,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea pallida,608924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea pallida'],0,1,2.165312886238098
7394,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea angustifolia,618371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea angustifolia'],0,1,2.165312886238098
7395,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],0,1,2.165312886238098
7396,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],0,1,2.165312886238098
7397,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],0,1,2.165312886238098
7398,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],0,1,2.165312886238098
7399,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper formosum,6030745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper formosum'],0,1,2.165312886238098
7400,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Leucocyclus formosus,616330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Leucocyclus'],['Leucocyclus formosus'],0,1,2.165312886238098
7401,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],0,1,2.165312886238098
7402,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper peepuloides,6031282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper peepuloides'],0,1,2.165312886238098
7403,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-UHFFFAOYSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)",CCCCCCCC=CC=CC(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],0,1,2.165312886238098
7404,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],0,1,2.165312886238098
7405,2248,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.41632822,ISDB,BBRMJCAPNGJKEM-AQASXUMVSA-N,"InChI=1S/C16H29NO/c1-4-5-6-7-8-9-10-11-12-13-16(18)17-14-15(2)3/h10-13,15H,4-9,14H2,1-3H3,(H,17,18)/b11-10+,13-12+",CCCCCCC/C=C/C=C/C(=O)NCC(C)C,C16H29NO,,251.224914548,BBRMJCAPNGJKEM,Fatty acids,Fatty amides,N-acyl amines,Anacyclus pyrethrum,531427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Anacyclus'],['Anacyclus pyrethrum'],0,1,2.165312886238098
7406,2243,-1,,,,0.5271692,ISDB,JIYAONITMKZUHD-NPJHKJLMSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8-9,11-12,14,17,19H,2-5,7,10,13,15-16H2,1H3,(H,20,21)/b8-6+,12-9+,14-11+/t17-/m0/s1",CCCCC/C=C/C=C/[C@H](O)C/C=C/CCCCC(=O)O,C18H30O3,,294.21949482,JIYAONITMKZUHD,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Sinularia numerosa,684963.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia numerosa'],2,0,4.108676910400391
7407,2242,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.30751464,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,10.730058550834656
7408,2239,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,ZCDDNVDFOHBRBE-QQUSBYFVSA-N,"InChI=1S/C28H32O15/c1-39-15-7-13(32)18-12(31)6-14(41-26(18)19(15)27-24(37)22(35)20(33)16(8-29)42-27)10-2-4-11(5-3-10)40-28-25(38)23(36)21(34)17(9-30)43-28/h2-7,16-17,20-25,27-30,32-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,25-,27+,28-/m1/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C28H32O15,pos_1_1proton,608.174120324,ZCDDNVDFOHBRBE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
7409,2238,-1,,,,0.5983417,ISDB,XHMJUNQEHUQUOV-LJXZRRFRSA-N,"InChI=1S/C18H26O2/c1-12(19)9-13-10-17(4)7-6-8-18(17,5)15-14(13)11-16(2,3)20-15/h9H,6-8,10-11H2,1-5H3/b13-9+/t17-,18-/m1/s1",CC(=O)/C=C1\C[C@@]2(C)CCC[C@]2(C)C2=C1CC(C)(C)O2,C18H26O2,,274.193280072,XHMJUNQEHUQUOV,Terpenoids,,,Cystoseira baccata,251281.0,['Eukaryota'],['Unknown'],['Unknown'],['Phaeophyceae'],['Fucales'],['Sargassaceae'],['Unknown'],['Cystoseira'],['Cystoseira baccata'],1,0,3.393366813659668
7410,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RZPOXAOUEYNXNO-VLSJDARNSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18+,19-/m0/s1",CC(=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C,C19H30O8,pos_1_1proton1acetonitrile,386.19406791999984,RZPOXAOUEYNXNO,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,1,7.5
7411,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JSTXDUPGNXVYPZ-DPJSVSISSA-N,"InChI=1S/C19H26O8/c1-8-4-12(26-17(23)9(2)6-20)14-10(3)18(24)27-16(14)15-11(8)5-13(22)19(15,25)7-21/h10-16,20-22,25H,1-2,4-7H2,3H3/t10-,11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21,C19H26O8,pos_1_1proton1ethylamine,382.1627677919999,JSTXDUPGNXVYPZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amberboa ramosa,7612724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amberboa'],['Amberboa ramosa'],7,1,7.5
7412,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JSTXDUPGNXVYPZ-DPJSVSISSA-N,"InChI=1S/C19H26O8/c1-8-4-12(26-17(23)9(2)6-20)14-10(3)18(24)27-16(14)15-11(8)5-13(22)19(15,25)7-21/h10-16,20-22,25H,1-2,4-7H2,3H3/t10-,11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CO)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21,C19H26O8,pos_1_1proton1ethylamine,382.1627677919999,JSTXDUPGNXVYPZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,1,7.5
7413,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PONPZQHPWHPKMF-BHFRCIHZSA-N,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)6-12(15-10(3)20(26)29-19(15)14(8)11)27-21-18(25)17(24)16(23)13(7-22)28-21/h10-19,21-25H,1-2,4-7H2,3H3/t10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1CC[C@H]2C(=C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C21H30O8,pos_1_1proton1ammonium,410.19406792,PONPZQHPWHPKMF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,1,7.5
7414,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUUYULQKNFTVDK-XMJNTTDOSA-N,"InChI=1S/C21H30O8/c1-7-21(5)8-15(29-20(27)12(3)14(24)10-23)16(13(4)19(26)28-6)18(25)17(21)11(2)9-22/h7,14-18,22-25H,1-4,8-10H2,5-6H3/t14-,15+,16-,17-,18+,21-/m1/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO,C21H30O8,pos_1_1proton1ammonium,410.19406792,PUUYULQKNFTVDK,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea attica,391030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea graeca'],7,1,7.5
7415,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUUYULQKNFTVDK-CQCYXHDOSA-N,"InChI=1S/C21H30O8/c1-7-21(5)8-15(29-20(27)12(3)14(24)10-23)16(13(4)19(26)28-6)18(25)17(21)11(2)9-22/h7,14-18,22-25H,1-4,8-10H2,5-6H3/t14-,15-,16+,17+,18-,21+/m0/s1",C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO,C21H30O8,pos_1_1proton1ammonium,410.19406792,PUUYULQKNFTVDK,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,1,7.5
7416,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LBJIOPYQHNZVLF-VGKHTGITSA-N,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h9,11-19,21-25H,1,3-7H2,2H3/t9-,11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CCC(=C)[C@@H]2C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O8,pos_1_1proton1ammonium,410.19406792,LBJIOPYQHNZVLF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,1,7.5
7417,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LBJIOPYQHNZVLF-VGKHTGITSA-N,"InChI=1S/C21H30O8/c1-8-4-5-11-9(2)20(26)29-19(11)15-10(3)13(6-12(8)15)27-21-18(25)17(24)16(23)14(7-22)28-21/h9,11-19,21-25H,1,3-7H2,2H3/t9-,11-,12-,13+,14+,15-,16+,17-,18+,19-,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CCC(=C)[C@@H]2C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H30O8,pos_1_1proton1ammonium,410.19406792,LBJIOPYQHNZVLF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,1,7.5
7418,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SJDLIJHKRINTTQ-YGFNRWEOSA-N,"InChI=1S/C21H30O8/c1-5-12(9-22)20(27)29-14-8-21(3)15(24)7-6-13(10-23)17(21)18(25)16(14)11(2)19(26)28-4/h5,10,13-18,22,24-25H,2,6-9H2,1,3-4H3/b12-5+/t13-,14-,15+,16+,17+,18-,21-/m0/s1",C=C(C(=O)OC)[C@H]1[C@H](O)[C@H]2[C@H](C=O)CC[C@@H](O)[C@]2(C)C[C@@H]1OC(=O)/C(=C/C)CO,C21H30O8,pos_1_1proton1ammonium,410.19406792,SJDLIJHKRINTTQ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,1,7.5
7419,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XSVHCRJRFKFCSN-MMNBODBLSA-N,"InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+/t12-,13+,14+,15-,16+,17+,18-/m0/s1",CC(=O)/C=C/C1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C,C19H30O8,pos_1_1proton1acetonitrile,386.19406791999984,XSVHCRJRFKFCSN,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,1,7.5
7420,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RZPOXAOUEYNXNO-VLSJDARNSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18+,19-/m0/s1",CC(=O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC2(C)C,C19H30O8,pos_1_1proton1acetonitrile,386.19406791999984,RZPOXAOUEYNXNO,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,1,7.5
7421,2237,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XSVHCRJRFKFCSN-MMNBODBLSA-N,"InChI=1S/C19H30O8/c1-9(21)5-6-11-10(2)17(12(22)7-19(11,3)4)27-18-16(25)15(24)14(23)13(8-20)26-18/h5-6,12-18,20,22-25H,7-8H2,1-4H3/b6-5+/t12-,13+,14+,15-,16+,17+,18-/m0/s1",CC(=O)/C=C/C1=C(C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)CC1(C)C,C19H30O8,pos_1_1proton1acetonitrile,386.19406791999984,XSVHCRJRFKFCSN,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,1,7.5
7422,2233,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.28493464,ISDB,JWWIVKTYYNHIMX-FYPCQSJKSA-N,"InChI=1S/C28H38O4/c1-6-7-8-9-10-12-19(2)13-11-14-25(29)32-24-16-15-23-26(30)27-22(20(3)18-31-27)17-28(23,5)21(24)4/h10-14,18,21,23-24H,6-9,15-17H2,1-5H3/b12-10+,14-11+,19-13+/t21-,23+,24+,28+/m0/s1",CCCCC/C=C/C(C)=C/C=C/C(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3C[C@]2(C)[C@H]1C,C28H38O4,,438.277009696,JWWIVKTYYNHIMX,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio glanduloso-pilosus,6056908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio glanduloso-pilosus'],4,1,5.6397385597229
7423,2232,-1,,,,0.0,MS1_match,TUYMOSZNDXCMQM-GLPNJXFDSA-N,"InChI=1S/C31H38O7/c1-15(2)27(34)38-31-25(29(31,6)7)21-14-17(4)24(33)22-20(13-16(3)23(22)32)30(21,36)18(5)26(31)37-28(35)19-11-9-8-10-12-19/h8-15,18,20-22,24-26,33,36H,1-7H3/t18-,20-,21+,22-,24-,25-,26-,30+,31-/m1/s1",CC1=C[C@@H]2[C@H](C1=O)[C@H](O)C(C)=C[C@H]1[C@@H]3C(C)(C)[C@]3(OC(=O)C(C)C)[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@]21O,C31H38O7,pos_1_1proton,522.2617535559999,TUYMOSZNDXCMQM,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia dendroides,825705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia dendroides'],8,0,8.0
7424,2232,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,0,8.0
7425,2232,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],8,0,8.0
7426,2232,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,0,8.0
7427,2232,-1,,,,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],8,0,8.0
7428,2231,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
7429,2231,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
7430,2226,-1,,,,0.0,MS1_match,PGAJUQOMDBGDPH-BYYJYFEHSA-N,"InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@]23CO[C@](O)([C@@](C)(O)[C@H]12)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]1[C@H]3OC(=O)c1ccccc1,C35H44O11,pos_1_1proton1ammonium,640.2883622279999,PGAJUQOMDBGDPH,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
7431,2226,-1,,,,0.0,MS1_match,DIFHLIBNXISLHL-NIIXWSSRSA-N,"InChI=1S/C33H44O11/c1-16-15-33-24(25(16)42-30(38)21-12-10-9-11-13-21)29-32(8,44-29)23(40-19(4)35)14-22(39-18(3)34)31(6,7)27(37)26(43-33)17(2)28(33)41-20(5)36/h9-13,16-17,22-29,37H,14-15H2,1-8H3/t16-,17-,22+,23+,24+,25-,26+,27-,28-,29+,32+,33+/m0/s1",CC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)O[C@@H]2[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]23O[C@H]([C@H](C)[C@@H]3OC(C)=O)[C@H](O)C1(C)C,C33H44O11,pos_1_1proton1acetonitrile,616.288362228,DIFHLIBNXISLHL,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
7432,2226,-1,,,,0.0,MS1_match,QIONJBZCQKQVON-GIGQMYBVSA-N,"InChI=1S/C33H40O11/c1-17(2)23-13-14-24(42-20(5)35)32(16-41-19(4)34)27(23)31(7,39)30(38)33(40)15-18(3)26(43-21(6)36)25(33)28(32)44-29(37)22-11-9-8-10-12-22/h8-14,18,23-28,39-40H,1,15-16H2,2-7H3/t18-,23+,24+,25+,26-,27-,28+,31-,32+,33+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(O)C(=O)[C@@](C)(O)[C@H]12,C33H40O11,pos_1_1proton1ethylamine,612.2570621,QIONJBZCQKQVON,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
7433,2226,-1,,,,0.0,MS1_match,QIONJBZCQKQVON-GIGQMYBVSA-N,"InChI=1S/C33H40O11/c1-17(2)23-13-14-24(42-20(5)35)32(16-41-19(4)34)27(23)31(7,39)30(38)33(40)15-18(3)26(43-21(6)36)25(33)28(32)44-29(37)22-11-9-8-10-12-22/h8-14,18,23-28,39-40H,1,15-16H2,2-7H3/t18-,23+,24+,25+,26-,27-,28+,31-,32+,33+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(O)C(=O)[C@@](C)(O)[C@H]12,C33H40O11,pos_1_1proton1ethylamine,612.2570621,QIONJBZCQKQVON,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
7434,2226,-1,,,,0.0,MS1_match,IIKDCVPMTQIXNK-GIGQMYBVSA-N,"InChI=1S/C33H40O11/c1-17(2)23-13-14-24(41-19(4)35)32(16-34)27(23)31(7,40)30(39)33(44-21(6)37)15-18(3)26(42-20(5)36)25(33)28(32)43-29(38)22-11-9-8-10-12-22/h8-14,18,23-28,34,40H,1,15-16H2,2-7H3/t18-,23+,24+,25+,26-,27-,28+,31-,32+,33+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@@]2(CO)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@](C)(O)[C@H]12,C33H40O11,pos_1_1proton1ethylamine,612.2570621,IIKDCVPMTQIXNK,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
7435,2226,-1,,,,0.0,MS1_match,IIKDCVPMTQIXNK-GIGQMYBVSA-N,"InChI=1S/C33H40O11/c1-17(2)23-13-14-24(41-19(4)35)32(16-34)27(23)31(7,40)30(39)33(44-21(6)37)15-18(3)26(42-20(5)36)25(33)28(32)43-29(38)22-11-9-8-10-12-22/h8-14,18,23-28,34,40H,1,15-16H2,2-7H3/t18-,23+,24+,25+,26-,27-,28+,31-,32+,33+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@@]2(CO)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@](C)(O)[C@H]12,C33H40O11,pos_1_1proton1ethylamine,612.2570621,IIKDCVPMTQIXNK,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
7436,2226,-1,,,,0.0,MS1_match,ZVKOYCRXRKIGIP-UHFFFAOYSA-N,"InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)41-19(3)35)27(42-20(4)36)32(16-40-18(2)34)23(43-28(37)21-11-9-8-10-12-21)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3",CC(=O)OCC12C(OC(=O)c3ccccc3)C=CC3C1C(C)(OC3(C)C)C(=O)C1(O)CC(C)C(OC(C)=O)C1C2OC(C)=O,C33H40O11,pos_1_1proton1ethylamine,612.2570621,ZVKOYCRXRKIGIP,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
7437,2226,-1,,,,0.0,MS1_match,ZVKOYCRXRKIGIP-UHFFFAOYSA-N,"InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)41-19(3)35)27(42-20(4)36)32(16-40-18(2)34)23(43-28(37)21-11-9-8-10-12-21)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3",CC(=O)OCC12C(OC(=O)c3ccccc3)C=CC3C1C(C)(OC3(C)C)C(=O)C1(O)CC(C)C(OC(C)=O)C1C2OC(C)=O,C33H40O11,pos_1_1proton1ethylamine,612.2570621,ZVKOYCRXRKIGIP,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
7438,2226,-1,,,,0.0,MS1_match,WFNDYVPJVITXJR-JVQHIIJCSA-N,"InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)43-28(37)21-11-9-8-10-12-21)27(42-20(4)36)32(16-40-18(2)34)23(41-19(3)35)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3/t17-,22-,23+,24+,25-,26-,27+,31-,32+,33+/m0/s1",CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C(=O)[C@@]3(C)OC(C)(C)[C@@H](C=C[C@H]1OC(C)=O)[C@H]23,C33H40O11,pos_1_1proton1ethylamine,612.2570621,WFNDYVPJVITXJR,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
7439,2226,-1,,,,0.0,MS1_match,WFNDYVPJVITXJR-JVQHIIJCSA-N,"InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)43-28(37)21-11-9-8-10-12-21)27(42-20(4)36)32(16-40-18(2)34)23(41-19(3)35)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3/t17-,22-,23+,24+,25-,26-,27+,31-,32+,33+/m0/s1",CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C(=O)[C@@]3(C)OC(C)(C)[C@@H](C=C[C@H]1OC(C)=O)[C@H]23,C33H40O11,pos_1_1proton1ethylamine,612.2570621,WFNDYVPJVITXJR,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
7440,2226,-1,,,,0.0,MS1_match,LIDBPZOYRAXILI-ZFOXUNKQSA-N,"InChI=1S/C32H39NO10/c1-15-12-32-28(41-20(6)36)16(2)13-31(32,43-32)27(37)17(3)25(40-19(5)35)22-23(30(22,7)8)26(24(15)39-18(4)34)42-29(38)21-10-9-11-33-14-21/h9-12,14,16-17,22-26,28H,13H2,1-8H3/b15-12-/t16-,17-,22-,23-,24-,25-,26+,28+,31-,32-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@@H]([C@@H](OC(=O)c3cccnc3)[C@@H](OC(C)=O)/C(C)=C\[C@@]34O[C@@]3(C[C@H](C)[C@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C32H39NO10,pos_1_1proton1isopropanol,597.257396448,LIDBPZOYRAXILI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia ingens,683659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ingens'],7,0,7.0
7441,2226,-1,,,,0.0,MS1_match,HQNSYEBVSCFDMN-QVQTYERCSA-N,"InChI=1S/C33H40O11/c1-16-13-33-29(42-21(6)37)17(2)14-32(33,44-33)28(38)18(3)26(41-20(5)36)23-24(31(23,7)15-34)27(25(16)40-19(4)35)43-30(39)22-11-9-8-10-12-22/h8-13,17-18,23-27,29,34H,14-15H2,1-7H3/b16-13+/t17-,18-,23-,24+,25+,26+,27+,29-,31-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)[C@@]2(C)CO,C33H40O11,pos_1_1proton1ethylamine,612.2570621,HQNSYEBVSCFDMN,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
7442,2226,-1,,,,0.0,MS1_match,CGIQXOPTOIJKKF-GIGQMYBVSA-N,"InChI=1S/C33H40O11/c1-17(2)23-13-14-24(38)32(16-34)27(23)31(7,43-20(5)36)30(40)33(44-21(6)37)15-18(3)26(41-19(4)35)25(33)28(32)42-29(39)22-11-9-8-10-12-22/h8-14,18,23-28,34,38H,1,15-16H2,2-7H3/t18-,23+,24+,25+,26-,27-,28+,31-,32+,33+/m0/s1",C=C(C)[C@H]1C=C[C@@H](O)[C@@]2(CO)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@](C)(OC(C)=O)[C@H]12,C33H40O11,pos_1_1proton1ethylamine,612.2570621,CGIQXOPTOIJKKF,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
7443,2226,-1,,,,0.0,MS1_match,WIIHXTZBFPAMCQ-GYKNTHHOSA-N,"InChI=1S/C33H40O11/c1-17-14-15-32(7,8)30(38)28(43-22(6)36)27(42-21(5)35)19(3)26(41-20(4)34)24-25(18(2)16-33(24,40)29(17)37)44-31(39)23-12-10-9-11-13-23/h9-15,17-18,24-28,40H,3,16H2,1-2,4-8H3/b15-14+/t17-,18-,24+,25-,26-,27-,28+,33+/m1/s1",C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]2(O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,C33H40O11,pos_1_1proton1ethylamine,612.2570621,WIIHXTZBFPAMCQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia mongolica,3912981.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia mongolica'],7,0,7.0
7444,2226,-1,,,,0.0,MS1_match,BRDRQNZVFVARSQ-UHFFFAOYSA-N,"InChI=1S/C33H40O11/c1-18-14-15-31(7,8)27(38)25(41-21(4)34)16-19(2)28(42-22(5)35)33(40)29(43-30(39)24-12-10-9-11-13-24)20(3)17-32(33,26(18)37)44-23(6)36/h9-15,18,20,25,28-29,40H,2,16-17H2,1,3-8H3",C=C1CC(OC(C)=O)C(=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C2(O)C1OC(C)=O,C33H40O11,pos_1_1proton1ethylamine,612.2570621,BRDRQNZVFVARSQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hirsuta,634791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirsuta'],7,0,7.0
7445,2226,-1,,,,0.0,MS1_match,BRDRQNZVFVARSQ-UHFFFAOYSA-N,"InChI=1S/C33H40O11/c1-18-14-15-31(7,8)27(38)25(41-21(4)34)16-19(2)28(42-22(5)35)33(40)29(43-30(39)24-12-10-9-11-13-24)20(3)17-32(33,26(18)37)44-23(6)36/h9-15,18,20,25,28-29,40H,2,16-17H2,1,3-8H3",C=C1CC(OC(C)=O)C(=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C2(O)C1OC(C)=O,C33H40O11,pos_1_1proton1ethylamine,612.2570621,BRDRQNZVFVARSQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hirsuta,634791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirsuta'],7,0,7.0
7446,2226,-1,,,,0.0,MS1_match,PGEIXGCPAXFUOK-PAXWCREGSA-N,"InChI=1S/C33H40O11/c1-17-15-33(39)24(25(17)42-20(4)36)27(43-28(37)21-11-9-8-10-12-21)32(16-40-18(2)34)23(41-19(3)35)14-13-22-26(32)31(7,29(33)38)44-30(22,5)6/h8-14,17,22-27,39H,15-16H2,1-7H3/t17-,22+,23+,24+,25-,26-,27+,31-,32+,33+/m0/s1",CC(=O)OC[C@@]12[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(O)C(=O)[C@@]3(C)OC(C)(C)[C@H](C=C[C@H]1OC(C)=O)[C@H]23,C33H40O11,pos_1_1proton1ethylamine,612.2570621,PGEIXGCPAXFUOK,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia cheiradenia,943355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia cheiradenia'],7,0,7.0
7447,2226,-1,,,,0.0,MS1_match,XEBNGXVAVDMLCS-PMZUXHFJSA-N,"InChI=1S/C33H40O11/c1-16-13-33(39)24(25(16)42-18(3)35)27(43-19(4)36)32-15-41-31(6,29(33)38)26(32)23-21(30(23,5)14-40-17(2)34)12-22(32)44-28(37)20-10-8-7-9-11-20/h7-11,16,21-27,39H,12-15H2,1-6H3/t16-,21-,22+,23-,24+,25-,26-,27+,30+,31+,32+,33+/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2[C@@H]3[C@@]4(CO[C@@]3(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]4OC(C)=O)[C@H](OC(=O)c3ccccc3)C[C@@H]21,C33H40O11,pos_1_1proton1ethylamine,612.2570621,XEBNGXVAVDMLCS,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
7448,2226,-1,,,,0.0,MS1_match,XEBNGXVAVDMLCS-PMZUXHFJSA-N,"InChI=1S/C33H40O11/c1-16-13-33(39)24(25(16)42-18(3)35)27(43-19(4)36)32-15-41-31(6,29(33)38)26(32)23-21(30(23,5)14-40-17(2)34)12-22(32)44-28(37)20-10-8-7-9-11-20/h7-11,16,21-27,39H,12-15H2,1-6H3/t16-,21-,22+,23-,24+,25-,26-,27+,30+,31+,32+,33+/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2[C@@H]3[C@@]4(CO[C@@]3(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]4OC(C)=O)[C@H](OC(=O)c3ccccc3)C[C@@H]21,C33H40O11,pos_1_1proton1ethylamine,612.2570621,XEBNGXVAVDMLCS,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
7449,2226,-1,,,,0.0,MS1_match,QIBBWTGAUNURQV-SXWZHASOSA-N,"InChI=1S/C35H44O11/c1-17-15-35-32(45-25(39)14-23-10-12-24(41-9)13-11-23)18(2)16-34(35,46-35)31(40)19(3)29(43-21(5)37)26-27(33(26,7)8)30(44-22(6)38)28(17)42-20(4)36/h10-13,15,18-19,26-30,32H,14,16H2,1-9H3/b17-15+/t18-,19+,26-,27+,28+,29-,30-,32-,34-,35-/m0/s1",COc1ccc(CC(=O)O[C@H]2[C@@H](C)C[C@@]34O[C@@]23/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C4=O)C2(C)C)cc1,C35H44O11,pos_1_1proton1ammonium,640.288362228,QIBBWTGAUNURQV,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia officinarum,326310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia officinarum'],7,0,7.0
7450,2226,-1,,,,0.0,MS1_match,PGAJUQOMDBGDPH-BYYJYFEHSA-N,"InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@]23CO[C@](O)([C@@](C)(O)[C@H]12)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]1[C@H]3OC(=O)c1ccccc1,C35H44O11,pos_1_1proton1ammonium,640.2883622279999,PGAJUQOMDBGDPH,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
7451,2226,-1,,,,0.0,MS1_match,CGIQXOPTOIJKKF-GIGQMYBVSA-N,"InChI=1S/C33H40O11/c1-17(2)23-13-14-24(38)32(16-34)27(23)31(7,43-20(5)36)30(40)33(44-21(6)37)15-18(3)26(41-19(4)35)25(33)28(32)42-29(39)22-11-9-8-10-12-22/h8-14,18,23-28,34,38H,1,15-16H2,2-7H3/t18-,23+,24+,25+,26-,27-,28+,31-,32+,33+/m0/s1",C=C(C)[C@H]1C=C[C@@H](O)[C@@]2(CO)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(C)=O)[C@@H](C)C[C@]3(OC(C)=O)C(=O)[C@@](C)(OC(C)=O)[C@H]12,C33H40O11,pos_1_1proton1ethylamine,612.2570621,CGIQXOPTOIJKKF,Terpenoids,Diterpenoids,Myrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
7452,2226,-1,,,,0.0,MS1_match,FIHKAGPDOSTDSG-UUFAGRPLSA-N,"InChI=1S/C32H39NO10/c1-17-13-23-22(29(23,5)6)10-11-31(16-39-31)27(40-18(2)34)24-26(41-28(38)21-9-8-12-33-14-21)30(7,42-19(3)35)15-32(24,25(17)37)43-20(4)36/h8-9,12-14,22-24,26-27H,10-11,15-16H2,1-7H3/b17-13+/t22-,23+,24+,26+,27+,30-,31+,32+/m0/s1",CC(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)c3cccnc3)[C@@](C)(OC(C)=O)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC[C@@]13CO3)C2(C)C,C32H39NO10,pos_1_1proton1isopropanol,597.257396448,FIHKAGPDOSTDSG,Terpenoids,Diterpenoids,,Euphorbia kopetdaghi,969000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kopetdaghi'],7,0,7.0
7453,2225,-1,,,,0.7507572,ISDB,,,,,,,VMVNSKSVCTXZOD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0030288696289062
7454,2221,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,CJYNUSAOAPXPPP-OJNPPMJPSA-N,"InChI=1S/C22H30O5/c1-12(11-27-13(2)23)14-9-15-16(24)10-17-21(3,4)7-6-8-22(17,5)18(15)20(26)19(14)25/h9,12,17,25-26H,6-8,10-11H2,1-5H3/t12?,17-,22-/m1/s1",CC(=O)OCC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O,C22H30O5,pos_2MMg,374.20932406,CJYNUSAOAPXPPP,Terpenoids,Diterpenoids,Abietane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],8,2,9.0
7455,2220,-1,,,,0.4192874,ISDB,NYOXRYYXRWJDKP-GYKMGIIDSA-N,"InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1",CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O,,384.3392160279999,NYOXRYYXRWJDKP,Terpenoids,Steroids,Cholestane steroids,Bombax anceps,5520029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax anceps'],6,0,7.677149653434753
7456,2219,165,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.33944342,ISDB,FXVRSKPFWVYCPN-UHFFFAOYSA-N,"InChI=1S/C12H8O6/c13-6-2-1-4-8-5(12(17)18-11(4)6)3-7(14)9(15)10(8)16/h3,14-16H,1-2H2",O=C1CCc2c1oc(=O)c1cc(O)c(O)c(O)c21,C12H8O6,,248.032087976,FXVRSKPFWVYCPN,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,3,10.857773661613464
7457,2215,-1,,,,0.0,MS1_match,ULWMURRUKFUJTH-PFQKTMGTSA-N,"InChI=1S/C26H28O15/c27-6-16-20(33)22(35)23(36)25(40-16)18-15(41-26-24(37)19(32)12(31)7-38-26)5-14-17(21(18)34)11(30)4-13(39-14)8-1-2-9(28)10(29)3-8/h1-5,12,16,19-20,22-29,31-37H,6-7H2/t12-,16+,19-,20+,22-,23+,24+,25-,26-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C26H28O15,pos_1_1sodium,580.142820196,ULWMURRUKFUJTH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gypsophila repens,328086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila repens'],6,0,6.0
7458,2215,-1,,,,0.0,MS1_match,QOYOSTICCWYNER-NZXTXWNKSA-N,"InChI=1S/C26H28O15/c27-11-2-1-9(3-12(11)28)16-6-14(30)19-13(29)4-10(5-17(19)40-16)39-26-24(36)22(34)21(33)18(41-26)8-38-25-23(35)20(32)15(31)7-37-25/h1-6,15,18,20-29,31-36H,7-8H2/t15-,18-,20-,21-,22+,23-,24-,25-,26-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C26H28O15,pos_1_1sodium,580.142820196,QOYOSTICCWYNER,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gypsophila repens,328086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Gypsophila'],['Gypsophila repens'],6,0,6.0
7459,2213,-1,,,,0.0,MS1_match,HLWQPWKHHFLJCJ-JRWQPYMESA-N,"InChI=1S/C21H36O5/c1-13(11-17(23)26-6)9-10-21(25)14(2)7-8-16-19(3,4)18(24)15(22)12-20(16,21)5/h11,14-16,18,22,24-25H,7-10,12H2,1-6H3/b13-11+/t14-,15-,16+,18-,20+,21+/m1/s1",COC(=O)/C=C(\C)CC[C@]1(O)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C,C21H36O5,pos_2MFe,368.256274252,HLWQPWKHHFLJCJ,Terpenoids,Diterpenoids,Labdane diterpenoids,Nolana rostrata,899666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nolaneae'],['Nolana'],['Nolana rostrata'],6,0,6.0
7460,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
7461,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,1,6.5
7462,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,1,6.5
7463,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,1,6.5
7464,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,1,6.5
7465,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
7466,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,1,6.5
7467,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,1,6.5
7468,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,1,6.5
7469,2212,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1proton,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,1,6.5
7470,2206,-1,,,,0.0,MS1_match,KEEQQEKLEZRLDS-YJSKEWJQSA-N,"InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22-,23-,24-,27-,28-,29?/m1/s1",CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OCC/C(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)C31CO1,C29H38O8,pos_2MCa,514.256668176,KEEQQEKLEZRLDS,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Baccharis coridifolia,7599897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis coridifolia'],6,0,6.0
7471,2206,-1,,,,0.0,MS1_match,KEEQQEKLEZRLDS-FLGSVKSYSA-N,"InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1",CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1,C29H38O8,pos_2MCa,514.256668176,KEEQQEKLEZRLDS,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Baccharis artemisioides,7599846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis artemisioides'],6,0,6.0
7472,2206,-1,,,,0.0,MS1_match,KEEQQEKLEZRLDS-YJSKEWJQSA-N,"InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5-,8-6-,19-14-/t20-,21-,22-,23-,24-,27-,28-,29?/m1/s1",CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C/[C@H]([C@@H](C)O)OCC/C(C)=C\C(=O)OC[C@@]2(CC1)[C@]4(C)C31CO1,C29H38O8,pos_2MCa,514.256668176,KEEQQEKLEZRLDS,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Baccharis coridifolia,7599897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis coridifolia'],6,0,6.0
7473,2206,-1,,,,0.0,MS1_match,KEEQQEKLEZRLDS-FLGSVKSYSA-N,"InChI=1S/C29H38O8/c1-18-9-11-28-16-34-26(32)14-19(2)10-12-33-21(20(3)30)7-5-6-8-25(31)37-22-15-24(36-23(28)13-18)29(17-35-29)27(22,28)4/h5-8,13-14,20-24,30H,9-12,15-17H2,1-4H3/b7-5+,8-6-,19-14+/t20-,21-,22-,23-,24-,27-,28-,29+/m1/s1",CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@H]([C@@H](C)O)OCC/C(C)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1,C29H38O8,pos_2MCa,514.256668176,KEEQQEKLEZRLDS,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Baccharis artemisioides,7599846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis artemisioides'],6,0,6.0
7474,2206,-1,,,,0.0,MS1_match,JNVNAJOQNUCFMY-QZANRFNGSA-N,"InChI=1S/C29H38O8/c1-17-10-12-34-21(19(3)30)7-5-6-8-24(31)36-22-14-23-29(33)15-20-18(2)9-11-28(26(20)37-23,27(22,29)4)16-35-25(32)13-17/h5-8,13,19-23,26,30,33H,2,9-12,14-16H2,1,3-4H3/b7-5+,8-6-,17-13+/t19-,20-,21-,22-,23-,26-,27-,28-,29+/m1/s1",C=C1CC[C@@]23COC(=O)/C=C(\C)CCO[C@@H]([C@@H](C)O)/C=C/C=C\C(=O)O[C@@H]4C[C@H]5O[C@@H]2[C@@H]1C[C@@]5(O)[C@]43C,C29H38O8,pos_2MCa,514.256668176,JNVNAJOQNUCFMY,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Baccharis coridifolia,7599897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis coridifolia'],6,0,6.0
7475,2206,-1,,,,0.0,MS1_match,CMYUURXKIJZUGB-QZANRFNGSA-N,"InChI=1S/C29H38O8/c1-17-10-12-34-21(19(3)30)7-5-6-8-24(31)36-22-14-23-29(33)15-20-18(2)9-11-28(26(20)37-23,27(22,29)4)16-35-25(32)13-17/h5-9,13,19-23,26,30,33H,10-12,14-16H2,1-4H3/b7-5+,8-6-,17-13+/t19-,20-,21-,22-,23-,26-,27-,28-,29+/m1/s1",CC1=CC[C@@]23COC(=O)/C=C(\C)CCO[C@@H]([C@@H](C)O)/C=C/C=C\C(=O)O[C@@H]4C[C@H]5O[C@@H]2[C@@H]1C[C@@]5(O)[C@]43C,C29H38O8,pos_2MCa,514.256668176,CMYUURXKIJZUGB,Terpenoids,Sesquiterpenoids,Trichothecane sesquiterpenoids,Baccharis coridifolia,7599897.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis coridifolia'],6,0,6.0
7476,2203,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.35909355,ISDB,GNKMPKTXDKCPAK-WOSRLPQWSA-N,"InChI=1S/C16H16O7/c17-7-10-5-13(12-6-14(20)23-16(10,12)8-18)22-15(21)9-1-3-11(19)4-2-9/h1-5,12-13,17-19H,6-8H2/t12-,13+,16+/m0/s1",O=C1C[C@H]2[C@H](OC(=O)c3ccc(O)cc3)C=C(CO)[C@@]2(CO)O1,C16H16O7,,320.089602852,GNKMPKTXDKCPAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Catalpa,997894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Catalpeae'],['Catalpa'],['Unknown'],5,3,7.936374187469482
7477,2201,460,Carbohydrates,Saccharides,Cyclitols,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
7478,2201,460,Carbohydrates,Saccharides,Cyclitols,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
7479,2200,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.54955333,ISDB,PSQYTAPXSHCGMF-BQYQJAHWSA-N,"InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+",CC(=O)/C=C/C1=C(C)CCCC1(C)C,C13H20O,,192.15141526,PSQYTAPXSHCGMF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.698213338851929
7480,2199,202,Shikimates and Phenylpropanoids,Stilbenoids,Cinnamic acids and derivatives,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,1,8.5
7481,2199,202,Shikimates and Phenylpropanoids,Stilbenoids,Cinnamic acids and derivatives,0.0,MS1_match,BJRNKVDFDLYUGJ-RMPHRYRLSA-N,"InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1",OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C12H16O7,pos_1_1proton1acetonitrile,272.08960285200004,BJRNKVDFDLYUGJ,Shikimates and Phenylpropanoids,,,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,1,8.5
7482,2197,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.37884924,ISDB,XGRYRNQISNOEGY-UHFFFAOYSA-N,"InChI=1S/C10H19NOS/c1-13(12)10-8-6-4-2-3-5-7-9-11/h2-8,10H2,1H3",C[S+]([O-])CCCCCCCCC#N,C10H19NOS,,201.118735228,XGRYRNQISNOEGY,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,8.51539695262909
7483,2196,499,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1sodium,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
7484,2195,-1,,,,0.0,MS1_match,AQPXIPMTIFZMHH-RBUKOAKNSA-N,"InChI=1S/C20H24O9/c1-26-15-6-11(4-5-13(15)23)19(25)18(10-22)29-20-16(27-2)7-12(14(24)9-21)8-17(20)28-3/h4-8,18-19,21-23,25H,9-10H2,1-3H3/t18-,19+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(C(=O)CO)cc2OC)ccc1O,C20H24O9,pos_1_1proton2acetonitrile,408.142032348,AQPXIPMTIFZMHH,Shikimates and Phenylpropanoids,Lignans,Neolignans,Echinacea purpurea,87526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Echinacea'],['Echinacea purpurea'],6,0,6.0
7485,2195,-1,,,,0.0,MS1_match,UQPCBXMOBACIGO-HBZIYPRWSA-N,"InChI=1S/C25H34O7/c1-8-12(3)22(27)30-17-10-18(31-23(28)13(4)9-2)25(7)11-16-14(5)24(29)32-21(16)20(26)15(6)19(17)25/h8-9,15-21,26H,5,10-11H2,1-4,6-7H3/b12-8-,13-9-/t15-,16+,17-,18+,19+,20+,21+,25+/m0/s1",C=C1C(=O)O[C@H]2[C@H](O)[C@@H](C)[C@@H]3[C@@H](OC(=O)/C(C)=C\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@]3(C)C[C@H]12,C25H34O7,pos_1_minus1proton2sodium,446.2304534279999,UQPCBXMOBACIGO,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Helenium argentinum,7604621.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium argentinum'],6,0,6.0
7486,2195,-1,,,,0.0,MS1_match,UQPCBXMOBACIGO-HBZIYPRWSA-N,"InChI=1S/C25H34O7/c1-8-12(3)22(27)30-17-10-18(31-23(28)13(4)9-2)25(7)11-16-14(5)24(29)32-21(16)20(26)15(6)19(17)25/h8-9,15-21,26H,5,10-11H2,1-4,6-7H3/b12-8-,13-9-/t15-,16+,17-,18+,19+,20+,21+,25+/m0/s1",C=C1C(=O)O[C@H]2[C@H](O)[C@@H](C)[C@@H]3[C@@H](OC(=O)/C(C)=C\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@]3(C)C[C@H]12,C25H34O7,pos_1_minus1proton2sodium,446.2304534279999,UQPCBXMOBACIGO,Terpenoids,Sesquiterpenoids,Pseudoguaiane sesquiterpenoids,Helenium donianum,7604631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium donianum'],6,0,6.0
7487,2195,-1,,,,0.0,MS1_match,AWOYIEKZALIOEL-WRKMGEQLSA-N,"InChI=1S/C25H34O7/c1-5-15(2)21(27)31-14-18-7-6-8-19-24(4,11-10-17-13-20(26)32-22(17)28)16(3)9-12-25(18,19)23(29)30/h5,7,13,16,19-20,26H,6,8-12,14H2,1-4H3,(H,29,30)/b15-5-/t16-,19+,20+,24-,25-/m1/s1",C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=C[C@@H](O)OC1=O,C25H34O7,pos_1_minus1proton2sodium,446.230453428,AWOYIEKZALIOEL,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,0,6.0
7488,2195,-1,,,,0.0,MS1_match,CAZJARHTQMIAOX-KGQISJQYSA-N,"InChI=1S/C25H34O7/c1-5-15(2)21(27)31-14-18-7-6-8-19-24(4,11-10-17-13-20(26)32-22(17)28)16(3)9-12-25(18,19)23(29)30/h5,7,13,16,19,22,28H,6,8-12,14H2,1-4H3,(H,29,30)/b15-5-/t16-,19+,22-,24-,25-/m1/s1",C/C=C(/C)C(=O)OCC1=CCC[C@@H]2[C@@]1(C(=O)O)CC[C@@H](C)[C@@]2(C)CCC1=CC(=O)O[C@H]1O,C25H34O7,pos_1_minus1proton2sodium,446.230453428,CAZJARHTQMIAOX,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Solidago virgaurea,541018.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago virgaurea'],6,0,6.0
7489,2195,-1,,,,0.0,MS1_match,XGECHFRUBTTWOQ-WSVSXHBLSA-N,"InChI=1S/C25H34O7/c1-8-13(4)23(28)32-22-20-15(6)24(29)31-17(20)11-25(7)18(26)10-16(14(5)21(22)25)30-19(27)9-12(2)3/h8,12,16-18,20,22,26H,6,9-11H2,1-5,7H3/b13-8+/t16-,17+,18-,20+,22-,25+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)C(=C(C)[C@@H](OC(=O)CC(C)C)C[C@@H]3O)[C@@H](OC(=O)/C(C)=C/C)[C@H]12,C25H34O7,pos_1_minus1proton2sodium,446.230453428,XGECHFRUBTTWOQ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Aspilia foliosa,7604821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Aspilia'],['Aspilia foliosa'],6,0,6.0
7490,2195,-1,,,,0.0,MS1_match,LIOYAVZGLXKOHL-SUXPPECKSA-N,"InChI=1S/C25H34O7/c1-9-14(5)22(27)29-18-12-19-24(7,31-19)17(26)11-16(13(3)4)20(21-25(18,8)32-21)30-23(28)15(6)10-2/h9-10,16,18-21H,3,11-12H2,1-2,4-8H3/b14-9-,15-10-/t16-,18-,19+,20-,21-,24-,25+/m0/s1",C=C(C)[C@@H]1CC(=O)[C@]2(C)O[C@@H]2C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)O[C@H]2[C@H]1OC(=O)/C(C)=C\C,C25H34O7,pos_1_minus1proton2sodium,446.230453428,LIOYAVZGLXKOHL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ligularia,515694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Unknown'],6,0,6.0
7491,2195,-1,,,,0.0,MS1_match,LIOYAVZGLXKOHL-MQPFUJCJSA-N,"InChI=1S/C25H34O7/c1-9-14(5)22(27)29-18-12-19-24(7,31-19)17(26)11-16(13(3)4)20(21-25(18,8)32-21)30-23(28)15(6)10-2/h9-10,16,18-21H,3,11-12H2,1-2,4-8H3/b14-9-,15-10-/t16-,18-,19+,20-,21+,24-,25+/m0/s1",C=C(C)[C@@H]1CC(=O)[C@]2(C)O[C@@H]2C[C@H](OC(=O)/C(C)=C\C)[C@@]2(C)O[C@@H]2[C@H]1OC(=O)/C(C)=C\C,C25H34O7,pos_1_minus1proton2sodium,446.230453428,LIOYAVZGLXKOHL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Ligularia latihastata,113948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia latihastata'],6,0,6.0
7492,2195,-1,,,,0.0,MS1_match,BVRLIAHAPALMLE-VQKFQMBVSA-N,"InChI=1S/C25H34O7/c1-6-14(2)22(27)31-21(24(4)19(26)7-8-20-25(24,5)32-20)11-15(3)17-12-18(30-23(17)28)16-9-10-29-13-16/h9-10,13-15,17-18,20-21H,6-8,11-12H2,1-5H3/t14-,15-,17+,18-,20-,21-,24-,25-/m1/s1",CC[C@@H](C)C(=O)O[C@H](C[C@@H](C)[C@@H]1C[C@H](c2ccoc2)OC1=O)[C@@]1(C)C(=O)CC[C@H]2O[C@]21C,C25H34O7,pos_1_minus1proton2sodium,446.230453428,BVRLIAHAPALMLE,Terpenoids,Diterpenoids,,Microglossa pyrrhopappa,1008392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza pyrrhopappa'],6,0,6.0
7493,2195,-1,,,,0.0,MS1_match,DJMIMWXAZOSZSO-HHUUIOTASA-N,"InChI=1S/C25H34O7/c1-6-14(2)22(27)31-21(24(4)19(26)7-8-20-25(24,5)32-20)11-15(3)17-12-18(30-23(17)28)16-9-10-29-13-16/h6,9-10,13,15,17-21,26H,7-8,11-12H2,1-5H3/b14-6-/t15-,17-,18-,19+,20-,21-,24-,25-/m1/s1",C/C=C(/C)C(=O)O[C@H](C[C@@H](C)[C@H]1C[C@H](c2ccoc2)OC1=O)[C@@]1(C)[C@@H](O)CC[C@H]2O[C@]21C,C25H34O7,pos_1_minus1proton2sodium,446.230453428,DJMIMWXAZOSZSO,Terpenoids,Diterpenoids,,Microglossa pyrifolia,6056085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Microglossa'],['Microglossa pyrifolia'],6,0,6.0
7494,2195,-1,,,,0.0,MS1_match,NFNNJFPVLGHNPC-PABGKVSNSA-N,"InChI=1S/C25H34O7/c1-6-14(2)20(26)31-19-11-15(3)24(12-17(30-21(24)27)16-8-10-29-13-16)25(28)9-7-18-23(5,32-18)22(19,25)4/h8,10,13-15,17-19,28H,6-7,9,11-12H2,1-5H3/t14-,15-,17-,18-,19-,22-,23-,24+,25-/m1/s1",CC[C@@H](C)C(=O)O[C@@H]1C[C@@H](C)[C@]2(C[C@H](c3ccoc3)OC2=O)[C@@]2(O)CC[C@H]3O[C@@]3(C)[C@@]12C,C25H34O7,pos_1_minus1proton2sodium,446.230453428,NFNNJFPVLGHNPC,Terpenoids,Diterpenoids,Halimane diterpenoids,Microglossa pyrrhopappa,1008392.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza pyrrhopappa'],6,0,6.0
7495,2195,-1,,,,0.0,MS1_match,YXVGRAYJPIRQMG-MXTIIODWSA-N,"InChI=1S/C25H34O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9-10,16-20H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17+,18-,19-,20-,25-/m1/s1",C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C\C,C25H34O7,pos_1_minus1proton2sodium,446.2304534279999,YXVGRAYJPIRQMG,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Senecio abrotanifolius,691378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea abrotanifolia'],6,0,6.0
7496,2195,-1,,,,0.0,MS1_match,YXVGRAYJPIRQMG-UHFFFAOYSA-N,"InChI=1S/C25H34O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9-10,16-20H,5,11-12H2,1-4,6-8H3",C=C(C(CC1OC1(C)C)OC(=O)C(C)=CC)C1CC2OC2(C)C(=O)C1OC(=O)C(C)=CC,C25H34O7,pos_1_minus1proton2sodium,446.230453428,YXVGRAYJPIRQMG,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Kleinia fulgens,1034824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio fulgens'],6,0,6.0
7497,2195,-1,,,,0.0,MS1_match,YXVGRAYJPIRQMG-UHFFFAOYSA-N,"InChI=1S/C25H34O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9-10,16-20H,5,11-12H2,1-4,6-8H3",C=C(C(CC1OC1(C)C)OC(=O)C(C)=CC)C1CC2OC2(C)C(=O)C1OC(=O)C(C)=CC,C25H34O7,pos_1_minus1proton2sodium,446.230453428,YXVGRAYJPIRQMG,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Packera streptanthifolia,107914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Packera streptanthifolia'],6,0,6.0
7498,2195,-1,,,,0.0,MS1_match,YXVGRAYJPIRQMG-MXTIIODWSA-N,"InChI=1S/C25H34O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9-10,16-20H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17+,18-,19-,20-,25-/m1/s1",C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)C(=O)[C@@H]1OC(=O)/C(C)=C\C,C25H34O7,pos_1_minus1proton2sodium,446.2304534279999,YXVGRAYJPIRQMG,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Senecio abrotanifolius,691378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Jacobaea'],['Jacobaea abrotanifolia'],6,0,6.0
7499,2195,-1,,,,0.0,MS1_match,YXVGRAYJPIRQMG-UHFFFAOYSA-N,"InChI=1S/C25H34O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9-10,16-20H,5,11-12H2,1-4,6-8H3",C=C(C(CC1OC1(C)C)OC(=O)C(C)=CC)C1CC2OC2(C)C(=O)C1OC(=O)C(C)=CC,C25H34O7,pos_1_minus1proton2sodium,446.230453428,YXVGRAYJPIRQMG,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Kleinia fulgens,1034824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio fulgens'],6,0,6.0
7500,2195,-1,,,,0.0,MS1_match,YXVGRAYJPIRQMG-UHFFFAOYSA-N,"InChI=1S/C25H34O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(26)20(16)30-23(28)14(4)10-2/h9-10,16-20H,5,11-12H2,1-4,6-8H3",C=C(C(CC1OC1(C)C)OC(=O)C(C)=CC)C1CC2OC2(C)C(=O)C1OC(=O)C(C)=CC,C25H34O7,pos_1_minus1proton2sodium,446.230453428,YXVGRAYJPIRQMG,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Packera streptanthifolia,107914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Packera streptanthifolia'],6,0,6.0
7501,2195,-1,,,,0.0,MS1_match,XBVDFACAELETOW-BLXGHBLYSA-N,"InChI=1S/C25H34O7/c1-17-7-11-25(16-32-18(2)26)20(15-31-23(29)13-22(27)28)5-4-6-21(25)24(17,3)10-8-19-9-12-30-14-19/h5,9,12,14,17,21H,4,6-8,10-11,13,15-16H2,1-3H3,(H,27,28)/t17-,21-,24+,25-/m1/s1",CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2COC(=O)CC(=O)O,C25H34O7,pos_1_minus1proton2sodium,446.230453428,XBVDFACAELETOW,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis neaei,5738967.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis neaei'],6,0,6.0
7502,2195,-1,,,,0.0,MS1_match,ZMBCGUSHOFUDQY-CJAYBFIESA-N,"InChI=1S/C25H34O7/c1-14(2)10-21(26)30-19-11-15(3)17-12-18(16-7-9-29-13-16)31-23(28)25(17)20(32-25)6-8-24(4,5)22(19)27/h7,9,13-15,17-20H,6,8,10-12H2,1-5H3/t15-,17+,18-,19+,20+,25+/m1/s1",CC(C)CC(=O)O[C@H]1C[C@@H](C)[C@@H]2C[C@H](c3ccoc3)OC(=O)[C@]23O[C@H]3CCC(C)(C)C1=O,C25H34O7,pos_1_minus1proton2sodium,446.2304534279999,ZMBCGUSHOFUDQY,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nidorella hottentotica,7598370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella hottentotica'],6,0,6.0
7503,2195,-1,,,,0.0,MS1_match,NEPDHJLHSDTJJL-KUVRGLCNSA-N,"InChI=1S/C25H34O7/c1-6-14(2)22(27)30-19-11-15(3)17-12-18(16-8-10-29-13-16)31-23(28)25(17)20(32-25)7-9-24(4,5)21(19)26/h6,8,10,13,15,17-21,26H,7,9,11-12H2,1-5H3/b14-6-/t15-,17+,18-,19+,20-,21-,25+/m1/s1",C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@@H]2C[C@H](c3ccoc3)OC(=O)[C@]23O[C@@H]3CCC(C)(C)[C@@H]1O,C25H34O7,pos_1_minus1proton2sodium,446.2304534279999,NEPDHJLHSDTJJL,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nidorella hottentotica,7598370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella hottentotica'],6,0,6.0
7504,2195,-1,,,,0.0,MS1_match,UQAHVIIBRSKKBV-ZVRZZMQISA-N,"InChI=1S/C25H34O7/c1-6-14(2)22(27)30-19-11-15(3)17-12-18(16-8-10-29-13-16)31-23(28)25(17)20(32-25)7-9-24(4,5)21(19)26/h8,10,13-15,17-20H,6-7,9,11-12H2,1-5H3/t14-,15-,17+,18-,19+,20+,25+/m1/s1",CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)[C@@H]2C[C@H](c3ccoc3)OC(=O)[C@]23O[C@H]3CCC(C)(C)C1=O,C25H34O7,pos_1_minus1proton2sodium,446.2304534279999,UQAHVIIBRSKKBV,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nidorella hottentotica,7598370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella hottentotica'],6,0,6.0
7505,2195,-1,,,,0.0,MS1_match,VBCHMARKTNJRBK-PLPVTNRNSA-N,"InChI=1S/C25H34O7/c1-8-13(3)22(26)29-17-11-20-25(7,32-20)12-19(31-23(27)14(4)9-2)21-16(6)24(28)30-18(21)10-15(17)5/h9-10,13,17-21H,6,8,11-12H2,1-5,7H3/b14-9-,15-10+/t13-,17+,18-,19-,20-,21+,25+/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](OC(=O)[C@H](C)CC)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12,C25H34O7,pos_1_minus1proton2sodium,446.230453428,VBCHMARKTNJRBK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Calea villosa,7606993.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea villosa'],6,0,6.0
7506,2195,-1,,,,0.0,MS1_match,CMAPGLSFHDIISZ-OSQIOLSUSA-N,"InChI=1S/C25H34O7/c1-7-14(4)24(29)31-17-9-8-16-11-18-20(15(5)12-30-18)22(32-19(26)10-13(2)3)25(16,6)21(17)23(27)28/h7,12-13,16-17,21-22H,8-11H2,1-6H3,(H,27,28)/b14-7-/t16-,17+,21-,22-,25+/m1/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)CC(C)C)[C@]2(C)[C@H]1C(=O)O,C25H34O7,pos_1_minus1proton2sodium,446.230453428,CMAPGLSFHDIISZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia atroviolacea,481878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia atroviolacea'],6,0,6.0
7507,2195,-1,,,,0.0,MS1_match,CMAPGLSFHDIISZ-OSQIOLSUSA-N,"InChI=1S/C25H34O7/c1-7-14(4)24(29)31-17-9-8-16-11-18-20(15(5)12-30-18)22(32-19(26)10-13(2)3)25(16,6)21(17)23(27)28/h7,12-13,16-17,21-22H,8-11H2,1-6H3,(H,27,28)/b14-7-/t16-,17+,21-,22-,25+/m1/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)CC(C)C)[C@]2(C)[C@H]1C(=O)O,C25H34O7,pos_1_minus1proton2sodium,446.230453428,CMAPGLSFHDIISZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna leptodactyla,7607914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Othonna leptodactyla'],6,0,6.0
7508,2195,-1,,,,0.0,MS1_match,GHGSDMUHIKZPKX-UHFFFAOYSA-N,"InChI=1S/C25H34O7/c1-7-16(4)22(26)29-13-19-10-11-20(21(12-19)32-24(28)18(6)9-3)25(15-31-25)14-30-23(27)17(5)8-2/h9-12,16-17H,7-8,13-15H2,1-6H3",CC=C(C)C(=O)Oc1cc(COC(=O)C(C)CC)ccc1C1(COC(=O)C(C)CC)CO1,C25H34O7,pos_1_minus1proton2sodium,446.230453428,GHGSDMUHIKZPKX,Polyketides,,,Vieraea laevigata,999365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Vieraea'],['Vieraea laevigata'],6,0,6.0
7509,2195,-1,,,,0.0,MS1_match,JMJALXVXPVBNPI-DHZHZOJOSA-N,"InChI=1S/C25H34O7/c1-8-11(3)22(26)29-15-10-13(5)16-18(19-17(15)14(6)24(28)30-19)25(7)21(32-25)20(16)31-23(27)12(4)9-2/h8,12,14-15,17-21H,9-10H2,1-7H3/b11-8+",C/C=C(\C)C(=O)OC1CC(C)=C2C(OC(=O)C(C)CC)C3OC3(C)C2C2OC(=O)C(C)C12,C25H34O7,pos_1_minus1proton2sodium,446.230453428,JMJALXVXPVBNPI,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stevia serrata,553390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia serrata'],6,0,6.0
7510,2194,556,Fatty acids,Fatty Acids and Conjugates,Amino fatty acids,0.63796353,ISDB,,,,,,,VXUKZOXLZJQOHU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.551854133605957
7511,2191,946,Terpenoids,Diterpenoids,Guaiane sesquiterpenoids,0.59648186,ISDB,DRMIXJGFDXRPMS-INIZCTEOSA-N,"InChI=1S/C16H20O3/c1-9(2)11-6-12-10(3)15(18)14(19-5)8-16(12,4)7-13(11)17/h6,8-9H,7H2,1-5H3/t16-/m0/s1",COC1=C[C@]2(C)CC(=O)C(C(C)C)=CC2=C(C)C1=O,C16H20O3,,260.1412445,DRMIXJGFDXRPMS,Terpenoids,Diterpenoids,,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],4,2,7.385927438735962
7512,2187,124,Fatty acids,Fatty amides,Primary amides,0.37383983,ISDB,ZMLQVXILYPDTDA-UHFFFAOYSA-N,"InChI=1S/C15H31NO/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H2,16,17)",CC(C)CCCCCCCCCCCC(N)=O,C15H31NO,,241.240564612,ZMLQVXILYPDTDA,Fatty acids,Fatty amides,Primary amides,Bacillus pumilus,37567.0,['Bacteria'],['Unknown'],['Firmicutes'],['Bacilli'],['Bacillales'],['Bacillaceae'],['Unknown'],['Bacillus'],['Bacillus pumilus'],0,3,2.9953593015670776
7513,2186,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-GIBQNNFTSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8-,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O,C12H20O8,pos_1_1proton1ethylamine,292.1158176,SCLGLFRXJNHKQZ,,,,Saponaria officinalis,842209.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Saponaria'],['Saponaria officinalis'],6,0,6.0
7514,2186,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,pos_1_1proton1ethylamine,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus deltoides,188564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus deltoides'],6,0,6.0
7515,2186,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-XFLMTTEOSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7+,8+,9+,10-,11+,12+/m0/s1",C[C@@H]1OC=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,pos_1_1proton1ethylamine,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus barbatus,590078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus barbatus'],6,0,6.0
7516,2186,-1,,,,0.0,MS1_match,SCLGLFRXJNHKQZ-FYKVHUBJSA-N,"InChI=1S/C12H20O8/c1-5-8(14)6(2-3-18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-17H,4H2,1H3/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1",C[C@H]1OC=C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O,C12H20O8,pos_1_1proton1ethylamine,292.1158176,SCLGLFRXJNHKQZ,,,,Dianthus longicalyx,904393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus longicalyx'],6,0,6.0
7517,2185,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MEOQGLVBDBQZTF-LPXUVMGASA-N,"InChI=1S/C42H68O14/c1-37(2)20-9-11-25-39(5)15-13-24(41(7)16-14-28(55-41)38(3,4)56-36-34(51)32(49)30(47)23(19-44)53-36)40(39,6)17-26(45)42(25,8)21(20)10-12-27(37)54-35-33(50)31(48)29(46)22(18-43)52-35/h9,21-25,27-36,43-44,46-51H,10-19H2,1-8H3/t21-,22-,23-,24+,25+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,39+,40-,41+,42+/m1/s1",CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@](C)([C@H]2CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1,C42H68O14,pos_2_1proton1sodium,796.460906856,MEOQGLVBDBQZTF,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
7518,2185,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DQBAJFFGCXINLY-ZGAWJQKFSA-N,"InChI=1S/C42H68O14/c1-20(2)14-21-17-51-42-18-41(19-52-42)22(34(42)40(21,7)50)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,41)6)55-36-32(49)33(29(46)24(16-44)54-36)56-35-31(48)30(47)28(45)23(15-43)53-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,31-,32-,33+,34+,35+,36+,38+,39-,40+,41+,42-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C42H68O14,pos_2_1proton1sodium,796.4609068560001,DQBAJFFGCXINLY,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
7519,2185,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SVQXVHMYGCMXPS-AWZLXSRLSA-N,"InChI=1S/C42H68O14/c1-20(2)14-21-15-40(7,50)34-22-8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,6)41(22)18-42(34,56-21)51-19-41)54-36-32(49)33(29(46)24(17-44)53-36)55-35-31(48)30(47)28(45)23(16-43)52-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,38+,39+,40+,41+,42+/m1/s1",CC(C)=C[C@@H]1C[C@](C)(O)[C@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]34CO[C@@]2(C4)O1,C42H68O14,pos_2_1proton1sodium,796.460906856,SVQXVHMYGCMXPS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
7520,2185,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,SVQXVHMYGCMXPS-AWZLXSRLSA-N,"InChI=1S/C42H68O14/c1-20(2)14-21-15-40(7,50)34-22-8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-39(26,6)41(22)18-42(34,56-21)51-19-41)54-36-32(49)33(29(46)24(17-44)53-36)55-35-31(48)30(47)28(45)23(16-43)52-35/h14,21-36,43-50H,8-13,15-19H2,1-7H3/t21-,22+,23+,24-,25-,26-,27+,28-,29-,30-,31+,32+,33+,34-,35-,36-,38+,39+,40+,41+,42+/m1/s1",CC(C)=C[C@@H]1C[C@](C)(O)[C@H]2[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@H]7O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]7O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]34CO[C@@]2(C4)O1,C42H68O14,pos_2_1proton1sodium,796.460906856,SVQXVHMYGCMXPS,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
7521,2177,-1,,,,0.0,MS1_match,TWPRESPPOZCYON-ZVYNCBAASA-N,"InChI=1S/C34H48O7/c1-18(16-35)19(2)29(39)30(41-23(6)37)21(4)28-26(40-22(5)36)15-32(8)27-10-9-24-20(3)25(38)11-12-33(24)17-34(27,33)14-13-31(28,32)7/h11-12,18,20-21,24,26-28,30,35H,2,9-10,13-17H2,1,3-8H3/t18-,20-,21-,24-,26-,27-,28-,30+,31+,32-,33-,34+/m0/s1",C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@]45C[C@]35CC[C@]12C)[C@@H](C)CO,C34H48O7,pos_1_1proton1acetonitrile,568.3400038759999,TWPRESPPOZCYON,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],6,0,6.0
7522,2176,-1,,,,0.0,MS1_match,DVWSXZIHSUZZKJ-UHFFFAOYSA-N,"InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OC,C19H32O2,pos_1_1proton1methanol,292.240230264,DVWSXZIHSUZZKJ,Fatty acids,Fatty esters,Wax monoesters,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7523,2175,-1,,,,0.0,MS1_match,TVXJJNJGTDWFLD-TWGQIWQCSA-N,"InChI=1S/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2/b9-6-",O/N=C\Cc1ccc(O)cc1,C8H9NO2,pos_2MH,151.063328528,TVXJJNJGTDWFLD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
7524,2173,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton2acetonitrile,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,1,8.5
7525,2173,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IUJMNBBMVDKCJF-ZIKIXERGSA-N,"InChI=1S/C36H52O4/c1-21(2)22(3)19-30(37)23(4)27-13-14-28-26-20-31(38)33-24(5)32(40-34(39)25-11-9-8-10-12-25)16-18-36(33,7)29(26)15-17-35(27,28)6/h8-12,20-24,27-30,32-33,37H,13-19H2,1-7H3/t22-,23+,24-,27-,28+,29+,30+,32+,33-,35-,36-/m1/s1",CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C,C36H52O4,pos_2_2proton2acetonitrile,548.386560144,IUJMNBBMVDKCJF,Terpenoids,Steroids,Ergostane steroids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,1,8.5
7526,2173,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,pos_1_1proton1ethylamine,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,1,8.5
7527,2172,839,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1proton1ethylamine,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7528,2172,839,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1proton1ethylamine,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7529,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-OTAKNEKHSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m0/s1",CC#CC#C/C=C1/C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Tanacetum parthenium,488828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum parthenium'],1,2,4.9978346824646
7530,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-OTAKNEKHSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m0/s1",CC#CC#C/C=C1/C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],1,2,4.9978346824646
7531,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Artemisia assoana,704050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia assoana'],1,2,4.9978346824646
7532,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Artemisia pedemontana,607377.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia pedemontana'],1,2,4.9978346824646
7533,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Glebionis coronaria,472707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis coronaria'],1,2,4.9978346824646
7534,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-UHFFFAOYSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3",CC#CC#CC=C1C=CC2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Artemisia granatensis,1070768.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia granatensis'],1,2,4.9978346824646
7535,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Plagius flosculosus,614002.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Plagius'],['Plagius flosculosus'],1,2,4.9978346824646
7536,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-OTAKNEKHSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m0/s1",CC#CC#C/C=C1/C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Dendranthema indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],1,2,4.9978346824646
7537,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-UHFFFAOYSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3",CC#CC#CC=C1C=CC2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Dendranthema zawadskii,228065.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum zawadskii'],1,2,4.9978346824646
7538,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chrysanthemum naktongense,7187.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum zawadskii'],1,2,4.9978346824646
7539,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-WHGQRRHOSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m0/s1",CC#CC#C/C=C1\C=C[C@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Tanacetum vulgare,602516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Tanacetum'],['Tanacetum vulgare'],1,2,4.9978346824646
7540,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Glebionis coronarium,472707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis coronaria'],1,2,4.9978346824646
7541,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-BWODNOAJSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7+/t13-/m1/s1",CC#CC#C/C=C1\C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Glebionis segetum,775935.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Glebionis'],['Glebionis segetum'],1,2,4.9978346824646
7542,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],1,2,4.9978346824646
7543,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Chrysanthemum yoshinaganthum,1061247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum yoshinaganthum'],1,2,4.9978346824646
7544,2171,1253,Terpenoids,Monoterpenoids,Phenanthrenes,0.7494587,ISDB,WTRXKCNFPMTAJV-FFXRNRBCSA-N,"InChI=1S/C13H12O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h7-8,10H,6,9,11H2,1H3/b12-7-/t13-/m1/s1",CC#CC#C/C=C1/C=C[C@@]2(CCCO2)O1,C13H12O2,,200.083729624,WTRXKCNFPMTAJV,Terpenoids,Monoterpenoids,,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],1,2,4.9978346824646
7545,2167,-1,,,,0.0,MS1_match,PBILEZBWIBJOSA-UMSLJHCASA-N,"InChI=1S/C20H28O12/c1-8(21)9-3-4-11(12(5-9)28-2)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)10(22)6-29-19/h3-5,10,13-20,22-27H,6-7H2,1-2H3/t10-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1",COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H28O12,pos_1_1sodium,460.1580763359998,PBILEZBWIBJOSA,,,,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,0,6.0
7546,2167,-1,,,,0.0,MS1_match,PBILEZBWIBJOSA-UMSLJHCASA-N,"InChI=1S/C20H28O12/c1-8(21)9-3-4-11(12(5-9)28-2)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)10(22)6-29-19/h3-5,10,13-20,22-27H,6-7H2,1-2H3/t10-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1",COc1cc(C(C)=O)ccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C20H28O12,pos_1_1sodium,460.1580763359998,PBILEZBWIBJOSA,,,,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,0,6.0
7547,2164,-1,,,,0.0,MS1_match,WMOJOCZNFPTCBX-DIOGFFNBSA-N,"InChI=1S/C24H40O11/c1-11-7-13(26)8-24(3,4)14(11)6-5-12(2)33-23-21(31)19(29)18(28)16(35-23)10-32-22-20(30)17(27)15(9-25)34-22/h7,12,14-23,25,27-31H,5-6,8-10H2,1-4H3/t12-,14-,15+,16+,17+,18+,19-,20-,21+,22-,23+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1proton1ethylamine,504.2570621,WMOJOCZNFPTCBX,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
7548,2158,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.45154595,ISDB,UJGMDAQQYTWITM-IMIFBBOLSA-N,"InChI=1S/C14H18O2/c1-8-3-5-10-7-12(15)16-14(10)13-9(2)4-6-11(8)13/h10-11,13-14H,1-7H2/t10-,11-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3CC(=O)O[C@@H]3[C@@H]12,C14H18O2,,218.130679816,UJGMDAQQYTWITM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cirsium carolinianum,3894747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium carolinianum'],7,3,10.306183815002441
7549,2156,-1,,,,0.0,MS1_match,UMGPWCXTJXKPHK-UHFFFAOYSA-N,"InChI=1S/C24H25N3O10/c1-10(29)17-19-12(8-13(26-17)23(34)25-7-6-16(30)35-2)11-4-3-5-14(18(11)27-19)36-24-22(33)21(32)20(31)15(9-28)37-24/h3-8,15,20-22,24,27-28,31-33H,9H2,1-2H3,(H,25,34)",COC(=O)C=CNC(=O)c1cc2c([nH]c3c(OC4OC(CO)C(O)C(O)C4O)cccc32)c(C(C)=O)n1,C24H25N3O10,pos_1_1proton1ethylamine,515.153994,UMGPWCXTJXKPHK,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,0,7.0
7550,2156,-1,,,,0.0,MS1_match,UMGPWCXTJXKPHK-INDRKVQXSA-N,"InChI=1S/C24H25N3O10/c1-10(29)17-19-12(8-13(26-17)23(34)25-7-6-16(30)35-2)11-4-3-5-14(18(11)27-19)36-24-22(33)21(32)20(31)15(9-28)37-24/h3-8,15,20-22,24,27-28,31-33H,9H2,1-2H3,(H,25,34)/b7-6+/t15-,20-,21+,22-,24-/m1/s1",COC(=O)/C=C/NC(=O)c1cc2c([nH]c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc32)c(C(C)=O)n1,C24H25N3O10,pos_1_1proton1ethylamine,515.1539939999999,UMGPWCXTJXKPHK,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma var. lanceolata,5920001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,0,7.0
7551,2156,-1,,,,0.0,MS1_match,UMGPWCXTJXKPHK-UHFFFAOYSA-N,"InChI=1S/C24H25N3O10/c1-10(29)17-19-12(8-13(26-17)23(34)25-7-6-16(30)35-2)11-4-3-5-14(18(11)27-19)36-24-22(33)21(32)20(31)15(9-28)37-24/h3-8,15,20-22,24,27-28,31-33H,9H2,1-2H3,(H,25,34)",COC(=O)C=CNC(=O)c1cc2c([nH]c3c(OC4OC(CO)C(O)C(O)C4O)cccc32)c(C(C)=O)n1,C24H25N3O10,pos_1_1proton1ethylamine,515.153994,UMGPWCXTJXKPHK,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma,5728488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,0,7.0
7552,2156,-1,,,,0.0,MS1_match,UMGPWCXTJXKPHK-INDRKVQXSA-N,"InChI=1S/C24H25N3O10/c1-10(29)17-19-12(8-13(26-17)23(34)25-7-6-16(30)35-2)11-4-3-5-14(18(11)27-19)36-24-22(33)21(32)20(31)15(9-28)37-24/h3-8,15,20-22,24,27-28,31-33H,9H2,1-2H3,(H,25,34)/b7-6+/t15-,20-,21+,22-,24-/m1/s1",COC(=O)/C=C/NC(=O)c1cc2c([nH]c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc32)c(C(C)=O)n1,C24H25N3O10,pos_1_1proton1ethylamine,515.1539939999999,UMGPWCXTJXKPHK,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Stellaria dichotoma var. lanceolata,5920001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Stellaria'],['Stellaria dichotoma'],7,0,7.0
7553,2154,-1,,,,0.0,MS1_match,UYTPUPDQBNUYGX-UHFFFAOYSA-N,"InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)",N=c1nc(O)c2nc[nH]c2[nH]1,C5H5N5O,pos_2MK,151.04940978,UYTPUPDQBNUYGX,Alkaloids,Pseudoalkaloids,Purine alkaloids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
7554,2154,-1,,,,0.0,MS1_match,OEYSNLOOZVNLRA-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-21-15(19)9-3-5-11(17)13(7-9)23-14-8-10(16(20)22-2)4-6-12(14)18/h3-8,17-18H,1-2H3",COC(=O)c1ccc(O)c(Oc2cc(C(=O)OC)ccc2O)c1,C16H14O7,pos_1_1sodium,318.073952788,OEYSNLOOZVNLRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,0,6.0
7555,2154,-1,,,,0.0,MS1_match,VSXYXFKPDHKDNT-UHFFFAOYSA-N,"InChI=1S/C16H14O7/c1-21-15(19)11-7-9(3-5-13(11)17)23-10-4-6-14(18)12(8-10)16(20)22-2/h3-8,17-18H,1-2H3",COC(=O)c1cc(Oc2ccc(O)c(C(=O)OC)c2)ccc1O,C16H14O7,pos_1_1sodium,318.073952788,VSXYXFKPDHKDNT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,0,6.0
7556,2154,-1,,,,0.0,MS1_match,FSKJPXSYWQUVGO-VQHVLOKHSA-N,"InChI=1S/C17H15NO5/c1-23-15-10-11(6-8-14(15)19)7-9-16(20)18-13-5-3-2-4-12(13)17(21)22/h2-10,19H,1H3,(H,18,20)(H,21,22)/b9-7+",COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)O)ccc1O,C17H15NO5,pos_2MFe,313.09502258,FSKJPXSYWQUVGO,Alkaloids,Anthranilic acid alkaloids,Anthranillic acid derivatives,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,0,6.0
7557,2152,-1,,,,0.7911684,ISDB,ASJBAMFLUNNOSV-PQYFOXTFSA-N,"InChI=1S/C23H35NO2/c1-13(2)16-9-10-22(3)15-7-5-14-6-8-17-18(21(25)26-4)11-23(22,19(14)17)20(16)24-12-15/h13,15-18,20,24H,5-12H2,1-4H3/t15-,16-,17-,18-,20+,22+,23+/m1/s1",COC(=O)[C@@H]1C[C@]23C4=C(CC[C@@H]5CN[C@H]2[C@@H](C(C)C)CC[C@@]53C)CC[C@@H]41,C23H35NO2,,357.26677936,ASJBAMFLUNNOSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum paxianum,5729567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum paxianum'],4,0,7.164673566818237
7558,2152,-1,,,,0.7911684,ISDB,ASJBAMFLUNNOSV-TZFYIYKDSA-N,"InChI=1S/C23H35NO2/c1-13(2)16-9-10-22(3)15-7-5-14-6-8-17-18(21(25)26-4)11-23(22,19(14)17)20(16)24-12-15/h13,15-18,20,24H,5-12H2,1-4H3/t15-,16-,17+,18+,20+,22+,23+/m1/s1",COC(=O)[C@H]1C[C@]23C4=C(CC[C@@H]5CN[C@H]2[C@@H](C(C)C)CC[C@@]53C)CC[C@H]41,C23H35NO2,,357.26677936,ASJBAMFLUNNOSV,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum calycinum,816930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum calycinum'],4,0,7.164673566818237
7559,2148,-1,,,,0.0,MS1_match,WKMUTMKVYCZMCR-GVPVRNJDSA-N,"InChI=1S/C45H78O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,38-39,42-46,49-51H,3-4,6,8-10,12,14-16,21-37H2,1-2H3/b7-5-,13-11-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\CCCCCCCC,C45H78O10,pos_1_1sodium,778.559498696,WKMUTMKVYCZMCR,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
7560,2146,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,IPAOSRZLXCPVNC-BKKYRAIMSA-N,"InChI=1S/C27H32O5/c1-14-11-18-20-19(25(20,4)5)12-16(3)26(22(18)29)13-15(2)23(27(26,31)21(14)28)32-24(30)17-9-7-6-8-10-17/h6-11,13,16,18-21,23,28,31H,12H2,1-5H3/t16-,18-,19-,20+,21-,23+,26+,27+/m1/s1",CC1=C[C@H]2C(=O)[C@]3(C=C(C)[C@H](OC(=O)c4ccccc4)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C27H32O5,pos_2MMg,436.224974124,IPAOSRZLXCPVNC,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,3,8.5
7561,2145,-1,,,,0.41919854,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],1,0,2.676794171333313
7562,2145,-1,,,,0.41919854,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],1,0,2.676794171333313
7563,2145,-1,,,,0.41919854,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],1,0,2.676794171333313
7564,2144,504,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.7409575,ISDB,BFGPGDSRRTWFPZ-IMCWKIMJSA-N,"InChI=1S/C26H38O8/c1-12(2)13-6-7-23(3)8-9-24(4)19(17(13)23)15(27)10-14-18-20(24)33-22-25(18,29)26(30,16(28)11-32-22)34-21(14)31-5/h10,12,15-16,18-22,27-30H,6-9,11H2,1-5H3/t15-,16-,18-,19-,20+,21-,22+,23-,24-,25+,26+/m1/s1",CO[C@@H]1O[C@@]2(O)[C@H](O)CO[C@H]3O[C@H]4[C@@H](C1=C[C@@H](O)[C@@H]1C5=C(C(C)C)CC[C@]5(C)CC[C@@]41C)[C@]32O,C26H38O8,,478.256668176,BFGPGDSRRTWFPZ,Terpenoids,Diterpenoids,Cyathane diterpenoids,Cyathus striatus,212213.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Agaricaceae'],['Unknown'],['Cyathus'],['Cyathus striatus'],1,2,4.96382999420166
7565,2140,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWDKIUHKLIZGEF-LRJNHNEYSA-N,"InChI=1S/C20H24O7/c1-9(4-5-21)18(23)26-13-6-10(2)12-7-14(22)20(8-25-20)16(12)17-15(13)11(3)19(24)27-17/h4,12-17,21-22H,2-3,5-8H2,1H3/b9-4+/t12-,13-,14-,15+,16-,17-,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/CO)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21,C20H24O7,pos_1_1proton1ammonium,376.152203108,LWDKIUHKLIZGEF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
7566,2140,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,RWDWCHAZOMBQBT-HRTLRMGBSA-N,"InChI=1S/C20H24O7/c1-5-8(2)18(23)26-11-6-9(3)12-14(16-13(11)10(4)19(24)27-16)20(7-25-20)17(22)15(12)21/h5,11-17,21-22H,3-4,6-7H2,1-2H3/b8-5+/t11-,12-,13+,14-,15+,16-,17-,20-/m0/s1",C=C1C[C@H](OC(=O)/C(C)=C/C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1[C@@H](O)[C@H](O)[C@]21CO1,C20H24O7,pos_1_1proton1ammonium,376.152203108,RWDWCHAZOMBQBT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea uniflora,1008871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea uniflora'],7,3,8.5
7567,2140,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWDKIUHKLIZGEF-LRJNHNEYSA-N,"InChI=1S/C20H24O7/c1-9(4-5-21)18(23)26-13-6-10(2)12-7-14(22)20(8-25-20)16(12)17-15(13)11(3)19(24)27-17/h4,12-17,21-22H,2-3,5-8H2,1H3/b9-4+/t12-,13-,14-,15+,16-,17-,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/CO)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21,C20H24O7,pos_1_1proton1ammonium,376.152203108,LWDKIUHKLIZGEF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea uniflora,1008871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea uniflora'],7,3,8.5
7568,2139,-1,,,,0.0,MS1_match,KVRQGMOSZKPBNS-FMHLWDFHSA-N,"InChI=1S/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1",C[C@]1(OC(=O)/C=C/c2ccccc2)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C24H30O11,pos_1_1proton1ethylamine,494.17881178,KVRQGMOSZKPBNS,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,0,6.0
7569,2139,-1,,,,0.0,MS1_match,CPHCYIDKOAOKCL-LUVHZPKESA-N,"InChI=1S/C24H30O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-7,13-14,16-23,25,27-30H,8-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccccc1)OC[C@]12O[C@H]1[C@@H](O)[C@@H]1CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C24H30O11,pos_1_1proton1ethylamine,494.17881178,CPHCYIDKOAOKCL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia trichosantha,173924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia trichosantha'],6,0,6.0
7570,2139,-1,,,,0.0,MS1_match,CPHCYIDKOAOKCL-LUVHZPKESA-N,"InChI=1S/C24H30O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-7,13-14,16-23,25,27-30H,8-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccccc1)OC[C@]12O[C@H]1[C@@H](O)[C@@H]1CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C24H30O11,pos_1_1proton1ethylamine,494.17881178,CPHCYIDKOAOKCL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia alypum,5921385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia alypum'],6,0,6.0
7571,2139,-1,,,,0.0,MS1_match,CPHCYIDKOAOKCL-LUVHZPKESA-N,"InChI=1S/C24H30O11/c25-10-14-18(28)19(29)20(30)23(33-14)34-22-16-13(8-9-31-22)17(27)21-24(16,35-21)11-32-15(26)7-6-12-4-2-1-3-5-12/h1-7,13-14,16-23,25,27-30H,8-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccccc1)OC[C@]12O[C@H]1[C@@H](O)[C@@H]1CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12,C24H30O11,pos_1_1proton1ethylamine,494.17881178,CPHCYIDKOAOKCL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia arabica,6072895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia arabica'],6,0,6.0
7572,2139,-1,,,,0.0,MS1_match,BRNNTXYZAIPAFB-IVFQWYFZSA-N,"InChI=1S/C24H34O11/c1-13(7-9-25)16(26)5-3-14(2)23(32)34-12-19-20(29)21(30)22(31)24(35-19)33-10-8-15-4-6-17(27)18(28)11-15/h3-4,6-7,11,16,19-22,24-31H,5,8-10,12H2,1-2H3/b13-7+,14-3+/t16-,19-,20-,21+,22-,24-/m1/s1",C/C(=C\C[C@@H](O)/C(C)=C/CO)C(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H34O11,pos_1_1proton1acetonitrile,498.210111908,BRNNTXYZAIPAFB,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
7573,2138,-1,,,,0.0,MS1_match,FIYPYRNWAKRRIU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)13-7-11(18)14-10(17)6-12(19)15(20)16(14)22-13/h2-7,17,19-20H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1,C16H12O6,pos_1_1proton1methanol,300.063388104,FIYPYRNWAKRRIU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
7574,2136,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1isopropanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
7575,2133,-1,,,,0.0,MS1_match,QGFBXAZKERGXIC-UHFFFAOYSA-N,"InChI=1S/C12H17F3O2/c1-6(2)8-5-4-7(3)9(10(8)16)11(17)12(13,14)15/h6-9H,4-5H2,1-3H3",CC(C)C1CCC(C)C(C(=O)C(F)(F)F)C1=O,C12H17F3O2,pos_1_1proton1isopropanol,250.118064444,QGFBXAZKERGXIC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
7576,2132,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1proton1ammonium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
7577,2132,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1proton1ammonium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
7578,2131,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.41151828,ISDB,MWZHKQTXZWMJQO-UHFFFAOYSA-N,"InChI=1S/C12H12O5/c1-14-9-5-8(3-4-11(13)15-2)6-10-12(9)17-7-16-10/h3-6H,7H2,1-2H3",COC(=O)C=Cc1cc(OC)c2c(c1)OCO2,C12H12O5,,236.068473484,MWZHKQTXZWMJQO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Esenbeckia almawillia,6126252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Esenbeckia'],['Esenbeckia almawillia'],4,0,5.64607310295105
7579,2131,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.41151828,ISDB,MWZHKQTXZWMJQO-UHFFFAOYSA-N,"InChI=1S/C12H12O5/c1-14-9-5-8(3-4-11(13)15-2)6-10-12(9)17-7-16-10/h3-6H,7H2,1-2H3",COC(=O)C=Cc1cc(OC)c2c(c1)OCO2,C12H12O5,,236.068473484,MWZHKQTXZWMJQO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Peperomia tetraphylla,911664.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Peperomia'],['Peperomia tetraphylla'],4,0,5.64607310295105
7580,2128,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_1_1proton1isopropanol,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
7581,2128,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1proton1isopropanol,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
7582,2124,439,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.21518365,ISDB,KYKBHRVKONYRBO-AATRIKPKSA-N,"InChI=1S/C9H17NO2/c1-4-5-6(2)8(11)7(3)9(10)12/h5,7-8,11H,4H2,1-3H3,(H2,10,12)/b6-5+",CC/C=C(\C)C(O)C(C)C(N)=O,C9H17NO2,,171.125928784,KYKBHRVKONYRBO,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces cavourensis,601543.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces cavourensis'],0,3,2.3607345819473267
7583,2124,439,Alkaloids,Peptide alkaloids,Simple amide alkaloids,0.21518365,ISDB,KYKBHRVKONYRBO-AATRIKPKSA-N,"InChI=1S/C9H17NO2/c1-4-5-6(2)8(11)7(3)9(10)12/h5,7-8,11H,4H2,1-3H3,(H2,10,12)/b6-5+",CC/C=C(\C)C(O)C(C)C(N)=O,C9H17NO2,,171.125928784,KYKBHRVKONYRBO,Alkaloids,Peptide alkaloids,Simple amide alkaloids,Streptomyces bacillaris,155927.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces bacillaris'],0,3,2.3607345819473267
7584,2121,-1,,,,0.2690202,ISDB,BXRVOAVGZJVGNJ-JAWVTSFWSA-N,"InChI=1S/C33H52O5/c1-19(2)20(3)21(4)29(37-23(6)35)32(9)33(38-32)17-14-28-26-11-10-24-18-25(36-22(5)34)12-15-30(24,7)27(26)13-16-31(28,33)8/h10,19-21,25-29H,11-18H2,1-9H3/t20-,21+,25+,26-,27+,28+,29+,30+,31+,32+,33+/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23O[C@@]3(C)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C(C)C)C1,C33H52O5,,528.381474764,BXRVOAVGZJVGNJ,Terpenoids,Steroids,Cholestane steroids,Sarcophyton crassocaule,666850.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sarcophyton'],['Sarcophyton crassocaule'],2,0,3.076080799102783
7585,2120,-1,,,,0.43476287,ISDB,CBZSGZRVUFWMHQ-IYRYOAFKSA-N,"InChI=1S/C25H38O/c1-21(2)11-6-12-22(3)13-7-14-23(4)15-8-16-24(5)17-9-18-25-19-10-20-26-25/h10-11,13,15,17,19-20H,6-9,12,14,16,18H2,1-5H3/b22-13+,23-15+,24-17+",CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1ccco1,C25H38O,,354.292265836,CBZSGZRVUFWMHQ,Terpenoids,Sesterterpenoids,Linear sesterterpenoids,Sarcotragus spinosulus,799333.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Irciniidae'],['Unknown'],['Sarcotragus'],['Sarcotragus spinosulus'],1,0,2.7390514612197876
7586,2119,-1,,,,0.0,MS1_match,DKZBBWMURDFHNE-NSCUHMNNSA-N,"InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+",COc1cc(/C=C/C=O)ccc1O,C10H10O3,pos_1_1proton1acetonitrile,178.06299418,DKZBBWMURDFHNE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7587,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-WWNPGLIZSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1",CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,3,7.5
7588,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-WWNPGLIZSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1",CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],6,3,7.5
7589,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-WWNPGLIZSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1",CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
7590,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-WWNPGLIZSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1",CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
7591,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-WWNPGLIZSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1",CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis conspersa,6130332.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis conspersa'],6,3,7.5
7592,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-WWNPGLIZSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3/t20-,22+,23-/m0/s1",CC(=O)O[C@H]1Cc2cc3c(cc2[C@H]2N(C)Cc4c(ccc5c4OCO5)[C@@]12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,3,7.5
7593,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-UHFFFAOYSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3",CC(=O)OC1Cc2cc3c(cc2C2N(C)Cc4c(ccc5c4OCO5)C12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,3,7.5
7594,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-UHFFFAOYSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3",CC(=O)OC1Cc2cc3c(cc2C2N(C)Cc4c(ccc5c4OCO5)C12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis melanochlora,5727918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis hamata'],6,3,7.5
7595,2118,988,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,PUHCFWFODBLSAP-UHFFFAOYSA-N,"InChI=1S/C23H23NO6/c1-12(25)30-20-7-13-6-18-19(28-10-27-18)8-14(13)22-23(20,2)16-4-5-17-21(29-11-26-17)15(16)9-24(22)3/h4-6,8,20,22H,7,9-11H2,1-3H3",CC(=O)OC1Cc2cc3c(cc2C2N(C)Cc4c(ccc5c4OCO5)C12C)OCO3,C23H23NO6,pos_1_1proton1dmso,409.152537456,PUHCFWFODBLSAP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis mucronifera,5727916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis boweri'],6,3,7.5
7596,2117,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.39711198,ISDB,RQLWDYSEFWBFBP-HPNVRDGLSA-N,"InChI=1S/C26H28O15/c27-6-16-20(35)21(36)25(41-26-22(37)19(34)14(33)7-38-26)24(40-16)18-12(31)4-11(30)17-13(32)5-15(39-23(17)18)8-1-2-9(28)10(29)3-8/h1-5,14,16,19-22,24-31,33-37H,6-7H2/t14-,16?,19+,20+,21-,22?,24-,25?,26+/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@H]3OC[C@H](O)[C@@H](O)C3O)c(O)cc(O)c12,C26H28O15,,580.142820196,RQLWDYSEFWBFBP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Deschampsia antarctica,3490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Deschampsia'],['Deschampsia antarctica'],5,3,8.08844792842865
7597,2116,-1,,,,0.21968836,ISDB,HLPZZZJXJPXFIM-RUZDIDTESA-N,"InChI=1S/C26H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)30-23-25(27)22-29-21-20-24(2)3/h18-19,24-25,27H,4-17,20-23H2,1-3H3/t25-/m1/s1",CCCCCCCCCCCCCCCC=CC(=O)OC[C@H](O)COCCC(C)C,C26H50O4,,426.37091007999993,HLPZZZJXJPXFIM,Fatty acids,Glycerolipids,Monoacylglycerols,Punica granatum,646814.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Lythraceae'],['Unknown'],['Punica'],['Punica granatum'],1,0,1.878753423690796
7598,2113,-1,,,,0.0,MS1_match,ZVKXPPXCNUMUOR-WYZRDEAWSA-N,"InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-35-37(5,6)24-32(41)26-39(35,9)43)15-11-12-16-29(2)19-14-20-31(4)34-23-36-38(7,8)25-33(42)27-40(36,10)44-34/h11-21,23,32-34,41-43H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20-/t22?,32-,33-,34?,39+,40+/m0/s1",C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1,C40H56O4,pos_2_2proton,600.417860272,ZVKXPPXCNUMUOR,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,0,6.0
7599,2113,-1,,,,0.0,MS1_match,XNGKCOFXDHYSGR-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3",CC(C)=CCCc1ccoc1,C10H14O,pos_2MH,150.104465068,XNGKCOFXDHYSGR,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
7600,2113,-1,,,,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_2MH,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
7601,2113,-1,,,,0.0,MS1_match,RECUKUPTGUEGMW-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3",Cc1ccc(C(C)C)cc1O,C10H14O,pos_2MH,150.104465068,RECUKUPTGUEGMW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cymbopogon schoenanthus,913224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon schoenanthus'],6,0,6.0
7602,2113,-1,,,,0.0,MS1_match,ULDHMXUKGWMISQ-VIFPVBQESA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",C=C(C)[C@H]1CC=C(C)C(=O)C1,C10H14O,pos_2MH,150.104465068,ULDHMXUKGWMISQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Bothriochloa bladhii,761201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Bothriochloa'],['Bothriochloa bladhii'],6,0,6.0
7603,2113,-1,,,,0.0,MS1_match,ULDHMXUKGWMISQ-VIFPVBQESA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",C=C(C)[C@H]1CC=C(C)C(=O)C1,C10H14O,pos_2MH,150.104465068,ULDHMXUKGWMISQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cymbopogon martini,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
7604,2113,-1,,,,0.0,MS1_match,ULDHMXUKGWMISQ-VIFPVBQESA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1",C=C(C)[C@H]1CC=C(C)C(=O)C1,C10H14O,pos_2MH,150.104465068,ULDHMXUKGWMISQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cymbopogon martinii,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
7605,2113,-1,,,,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_2MH,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
7606,2113,-1,,,,0.0,MS1_match,IOCKHKBAJGJHFL-FCNFAXOHSA-N,"InChI=1S/C20H28O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,16H,1,7-11H2,2-5H3/t14-,16-,19-,20+/m1/s1",C=C[C@@]1(C)C=C2C(=O)C[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]2CC1,C20H28O2,pos_1_1proton,300.208930136,IOCKHKBAJGJHFL,Terpenoids,Diterpenoids,Norpimarane and Norisopimarane diterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
7607,2113,-1,,,,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_2MH,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cymbopogon schoenanthus,913224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon schoenanthus'],6,0,6.0
7608,2113,-1,,,,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_2MH,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],6,0,6.0
7609,2113,-1,,,,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_2MH,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Conobea scoparioides,6072828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Conobea'],['Conobea scoparioides'],6,0,6.0
7610,2113,-1,,,,0.0,MS1_match,XLPDVYGDNRIQFV-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7,11H,1-3H3",Cc1ccc(C(C)(C)O)cc1,C10H14O,pos_2MH,150.104465068,XLPDVYGDNRIQFV,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Bothriochloa bladhii,761201.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Bothriochloa'],['Bothriochloa bladhii'],6,0,6.0
7611,2113,-1,,,,0.0,MS1_match,SGAWOGXMMPSZPB-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3",CC1=C(C=O)C(C)(C)CC=C1,C10H14O,pos_2MH,150.104465068,SGAWOGXMMPSZPB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca rubra,202297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca rubra'],6,0,6.0
7612,2113,-1,,,,0.0,MS1_match,SGAWOGXMMPSZPB-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-8-5-4-6-10(2,3)9(8)7-11/h4-5,7H,6H2,1-3H3",CC1=C(C=O)C(C)(C)CC=C1,C10H14O,pos_2MH,150.104465068,SGAWOGXMMPSZPB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca arundinacea,105576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca arundinacea'],6,0,6.0
7613,2113,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
7614,2113,-1,,,,0.0,MS1_match,SZCBXWMUOPQSOX-WVJDLNGLSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1",CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,SZCBXWMUOPQSOX,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
7615,2113,-1,,,,0.0,MS1_match,MGSRCZKZVOBKFT-UHFFFAOYSA-N,"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3",Cc1ccc(C(C)C)c(O)c1,C10H14O,pos_2MH,150.104465068,MGSRCZKZVOBKFT,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Limnophila repens,6072982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Limnophila'],['Limnophila repens'],6,0,6.0
7616,2113,-1,,,,0.0,MS1_match,PGYAYSRVSAJXTE-FTLOKQSXSA-N,"InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22?,33-,34-,38+,39+,40-/m0/s1",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C,C40H56O4,pos_2_2proton,600.417860272,PGYAYSRVSAJXTE,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
7617,2107,-1,,,,0.7213143,ISDB,,,,,,,BOLXIDJBJYIEMH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8852572441101074
7618,2106,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,FZKCYZNAORCYGO-HEGMYTHOSA-N,"InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22-,28-,29+,30+,31-,32+,35+/m0/s1",CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]12OC(C)=O,C35H46O10,pos_1_1proton1ammonium,626.309097672,FZKCYZNAORCYGO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7619,2106,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,RWZRNGOVGSXIQY-PIYRXYHCSA-N,"InChI=1S/C33H42O10/c1-18-14-25-29(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,43-23(6)36)30(41-22(5)35)19(2)15-27(37)32(7,8)28(38)16-26(18)40-21(4)34/h9-15,20,25-27,29-30,37H,16-17H2,1-8H3/b18-14+,19-15+/t20-,25+,26-,27+,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1/C(C)=C/[C@H](O)C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O10,pos_1_1proton1ethylamine,598.277797544,RWZRNGOVGSXIQY,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
7620,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Arnebia euchroma,914167.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Boraginales'],['Boraginaceae'],['Lithospermeae'],['Arnebia'],['Arnebia euchroma'],4,3,6.761570572853088
7621,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Beilschmiedia tsangii,5699365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia tsangii'],4,3,6.761570572853088
7622,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],4,3,6.761570572853088
7623,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Gymnosporia acuminata,906995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Celastrales'],['Celastraceae'],['Unknown'],['Maytenus'],['Maytenus hookeri'],4,3,6.761570572853088
7624,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Aphanamixis polystachya,430647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Aphanamixis polystachya'],4,3,6.761570572853088
7625,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,3,6.761570572853088
7626,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Piper kwashoense,6030948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper kwashoense'],4,3,6.761570572853088
7627,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-UHFFFAOYSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3",CC(C)C(C)C=CC(C)C1CCC2=C3C=CC4=CC(=O)CCC4(C)C3CCC21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Aphanamixis,956630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Meliaceae'],['Unknown'],['Aphanamixis'],['Unknown'],4,3,6.761570572853088
7628,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-RUEXCWEXSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20-,24-,26+,27+,28-/m1/s1",CC(C)[C@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Erythrina sigmoidea,3921516.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina sigmoidea'],4,3,6.761570572853088
7629,2104,528,Terpenoids,Steroids,Ergostane steroids,0.31539264,ISDB,OIMXTYUHMBQQJM-HSVWHVBGSA-N,"InChI=1S/C28H40O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,17-20,24,26H,11-16H2,1-6H3/b8-7+/t19-,20+,24+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C,C28H40O,,392.3079159,OIMXTYUHMBQQJM,Terpenoids,Steroids,Ergostane steroids,Diospyros maritima,1049014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros maritima'],4,3,6.761570572853088
7630,2103,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.41081467,ISDB,,,,,,,RBEJCQPPFCKTRZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6432586908340454
7631,2100,-1,,,,0.0,MS1_match,RRGYKMGILZUEMN-UHFFFAOYSA-N,"InChI=1S/C11H12O6/c1-7(12)17-11(15,16-2)10(14)8-5-3-4-6-9(8)13/h3-6,13,15H,1-2H3",COC(O)(OC(C)=O)C(=O)c1ccccc1O,C11H12O6,pos_1_1proton1ammonium,240.063388104,RRGYKMGILZUEMN,Shikimates and Phenylpropanoids,,,Croton hieronymi,3913472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton hieronymi'],6,0,6.0
7632,2098,-1,,,,0.0,MS1_match,RLRLTAGUIXFIHJ-DKJRHJEESA-N,"InChI=1S/C34H56O11/c1-16(23-14-32(3,41)34(5,42)30(44-23)45-29-28(40)27(39)26(38)24(15-35)43-29)20-8-9-21-19-7-6-17-12-18(36)13-25(37)33(17,4)22(19)10-11-31(20,21)2/h6,16,18-30,35-42H,7-15H2,1-5H3/t16-,18+,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@@](C)(O)[C@](C)(O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1,C34H56O11,pos_1_1sodium,640.382262612,RLRLTAGUIXFIHJ,Terpenoids,Steroids,Ergostane steroids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0
7633,2096,839,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1proton1ammonium,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7634,2096,839,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1proton1ammonium,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7635,2095,-1,,,,0.0,MS1_match,VLEOUZJFQJTURI-UHFFFAOYSA-N,"InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-11,13H2,1-2H3",CCCCCC#CCCCCCCC,C14H26,pos_1_1proton1dmso,194.203450832,VLEOUZJFQJTURI,Fatty acids,Fatty acyls,Hydrocarbons,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
7636,2094,-1,,,,0.6587209,ISDB,RWAKIPFJHIOZAN-PJSUUKDQSA-N,"InChI=1S/C20H22O7/c1-25-17-7-11(3-5-15(17)22)19(24)14-10-27-20(13(14)9-21)12-4-6-16(23)18(8-12)26-2/h3-8,13-14,20-23H,9-10H2,1-2H3/t13-,14-,20+/m0/s1",COc1cc(C(=O)[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H22O7,,374.1365530439999,RWAKIPFJHIOZAN,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,9.634883642196655
7637,2093,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HEPNJGVJOADIPJ-RCJHNZBJSA-N,"InChI=1S/C35H52O14/c1-16-30(49-32-28(42)26(40)25(39)23(13-36)48-32)27(41)29(43)31(46-16)47-19-5-9-34(15-37)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-24(38)45-14-17/h11,15-16,18-23,25-32,36,39-44H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H52O14,pos_2_1proton1potassium,696.335706344,HEPNJGVJOADIPJ,Terpenoids,Steroids,Cardenolides,Saussurea stella,561045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea stella'],7,1,7.5
7638,2092,297,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FOUFVMIJSDWPJZ-ZZBQETCWSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)11(10(16)13(18)19-8)20-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2/t8-,9-,10-,11+,13-/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@H](O)O[C@H](CO)[C@H]1O)c1ccccc1,C13H16O7,pos_1_1proton1ammonium,284.089602852,FOUFVMIJSDWPJZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Globularia nudicaulis,27257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia nudicaulis'],6,3,7.5
7639,2092,297,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,RIDPBVGJGNVNFX-HMUNZLOLSA-N,"InChI=1S/C13H16O7/c14-6-8-9(15)10(16)11(13(18)19-8)20-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2/t8-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccccc1,C13H16O7,pos_1_1proton1ammonium,284.089602852,RIDPBVGJGNVNFX,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Globularia nudicaulis,27257.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia nudicaulis'],6,3,7.5
7640,2091,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MZQXNUBTVLKMLP-QOEJBJAYSA-N,"InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,C24H28O13,pos_1_1proton1ammonium,524.1529909559998,MZQXNUBTVLKMLP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
7641,2091,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MZQXNUBTVLKMLP-QOEJBJAYSA-N,"InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,C24H28O13,pos_1_1proton1ammonium,524.1529909559998,MZQXNUBTVLKMLP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
7642,2089,-1,,,,0.0,MS1_match,SMKNLYABELUZSL-SRQGCSHVSA-N,"InChI=1S/C10H20O5/c1-3-4-5-14-10-9(13)8(12)7(11)6(2)15-10/h6-13H,3-5H2,1-2H3/t6-,7-,8+,9+,10+/m0/s1",CCCCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C10H20O5,pos_2MHCH3CN,220.13107374,SMKNLYABELUZSL,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Bellis perennis,792843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Bellis'],['Bellis perennis'],6,0,6.0
7643,2086,-1,,,,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7644,2086,-1,,,,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7645,2086,-1,,,,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7646,2086,-1,,,,0.0,MS1_match,RNDGJCZQVKFBPI-ASDZUOGYSA-N,"InChI=1S/C24H22O14/c25-11-2-1-9(3-12(11)26)15-6-14(28)20-13(27)4-10(5-16(20)37-15)36-24-23(34)22(33)21(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,21-27,32-34H,7-8H2,(H,29,30)/t17-,21-,22+,23-,24-/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O14,pos_1_1proton,534.1009553839997,RNDGJCZQVKFBPI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7647,2084,-1,,,,0.0,MS1_match,YQESGDRIAQDEQE-KETKXCOSSA-N,"InChI=1S/C20H30O3/c1-6-12-9-14(21)18-13(11(12)2)7-8-15-19(3,4)16(22)10-17(23)20(15,18)5/h6,9,11,13,15-18,22-23H,1,7-8,10H2,2-5H3/t11-,13-,15-,16-,17+,18+,20+/m0/s1",C=CC1=CC(=O)[C@H]2[C@@H](CC[C@H]3C(C)(C)[C@@H](O)C[C@@H](O)[C@]23C)[C@H]1C,C20H30O3,pos_2MCH3CNNa,318.21949482,YQESGDRIAQDEQE,Terpenoids,Diterpenoids,Cassane diterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
7648,2084,-1,,,,0.0,MS1_match,LITXYSWNBQTRAI-UHFFFAOYSA-N,"InChI=1S/C20H30O3/c1-17(2)13-7-8-20-9-11(19(4)16(20)23-19)5-6-14(20)18(13,3)10-12(21)15(17)22/h11,13-16,22H,5-10H2,1-4H3",CC1(C)C(O)C(=O)CC2(C)C1CCC13CC(CCC21)C1(C)OC31,C20H30O3,pos_2MCH3CNNa,318.21949482,LITXYSWNBQTRAI,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
7649,2083,495,Terpenoids,Steroids,Cholestane steroids,0.44837636,ISDB,FWDWUWPIWNWLFQ-ZWQSCVCHSA-N,"InChI=1S/C27H44O2/c1-17(2)5-10-25-18(3)22-8-9-24-21-7-6-19-15-20(28)11-13-26(19,4)23(21)12-14-27(22,24)16-29-25/h17,19-24,28H,5-16H2,1-4H3/t19-,20-,21+,22+,23-,24-,26-,27-/m0/s1",CC1=C(CCC(C)C)OC[C@]23CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]2CC[C@H]13,C27H44O2,,400.334130648,FWDWUWPIWNWLFQ,Terpenoids,Steroids,Cholestane steroids,Axinella bidderi,2835406.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella bidderi'],2,3,5.293505430221558
7650,2081,-1,,,,0.39468396,ISDB,UCYICOKKUVBVNZ-LBKOFNPBSA-N,"InChI=1S/C20H28O4/c1-3-4-5-6-7-9-12-15-19(24-18(2)21)16-13-10-8-11-14-17-20(22)23/h12,15,19H,3-4,8,10-11,13-14,16-17H2,1-2H3,(H,22,23)/b15-12+/t19-/m1/s1",CCCC#CC#C/C=C/[C@H](CCCCCCCC(=O)O)OC(C)=O,C20H28O4,,332.198759376,UCYICOKKUVBVNZ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Inulanthera tridens,7596870.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera tridens'],1,0,2.578735828399658
7651,2081,-1,,,,0.39468396,ISDB,UCYICOKKUVBVNZ-LBKOFNPBSA-N,"InChI=1S/C20H28O4/c1-3-4-5-6-7-9-12-15-19(24-18(2)21)16-13-10-8-11-14-17-20(22)23/h12,15,19H,3-4,8,10-11,13-14,16-17H2,1-2H3,(H,22,23)/b15-12+/t19-/m1/s1",CCCC#CC#C/C=C/[C@H](CCCCCCCC(=O)O)OC(C)=O,C20H28O4,,332.198759376,UCYICOKKUVBVNZ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Inulanthera calva,593042.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera calva'],1,0,2.578735828399658
7652,2081,-1,,,,0.39468396,ISDB,UCYICOKKUVBVNZ-LBKOFNPBSA-N,"InChI=1S/C20H28O4/c1-3-4-5-6-7-9-12-15-19(24-18(2)21)16-13-10-8-11-14-17-20(22)23/h12,15,19H,3-4,8,10-11,13-14,16-17H2,1-2H3,(H,22,23)/b15-12+/t19-/m1/s1",CCCC#CC#C/C=C/[C@H](CCCCCCCC(=O)O)OC(C)=O,C20H28O4,,332.198759376,UCYICOKKUVBVNZ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Inulanthera dregeana,5920598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera dregeana'],1,0,2.578735828399658
7653,2079,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton1methanol,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
7654,2079,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton1methanol,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spuria,3883480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spuria'],8,0,8.0
7655,2079,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton1methanol,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,0,8.0
7656,2079,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton1methanol,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica chamaedrys,131111.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica chamaedrys'],8,0,8.0
7657,2079,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton1methanol,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica teucrium,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
7658,2079,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KZNIFHPLKGYRTM-UHFFFAOYSA-N,"InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H",O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O5,pos_1_1proton1methanol,270.05282342,KZNIFHPLKGYRTM,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
7659,2077,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton2acetonitrile,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7660,2077,-1,,,,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton2acetonitrile,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7661,2075,-1,,,,0.0,MS1_match,MAHPANYZARJSAV-AQWLBVFKSA-N,"InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2/t17-,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@H]12,C30H36O12,pos_2_2sodium,588.220676592,MAHPANYZARJSAV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeris japonica,5795099.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris japonica'],6,0,6.0
7662,2075,-1,,,,0.0,MS1_match,BYXOLWYJKZALLQ-GIPNMCIBSA-N,"InChI=1S/C15H18O6/c1-17-11-4-8(5-12(18-2)14(11)19-3)13-9-6-21-15(16)10(9)7-20-13/h4-5,9-10,13H,6-7H2,1-3H3/t9-,10-,13-/m1/s1",COc1cc([C@H]2OC[C@H]3C(=O)OC[C@@H]23)cc(OC)c1OC,C15H18O6,pos_1_1sodium,294.110338296,BYXOLWYJKZALLQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia carvifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
7663,2075,-1,,,,0.0,MS1_match,BYXOLWYJKZALLQ-GIPNMCIBSA-N,"InChI=1S/C15H18O6/c1-17-11-4-8(5-12(18-2)14(11)19-3)13-9-6-21-15(16)10(9)7-20-13/h4-5,9-10,13H,6-7H2,1-3H3/t9-,10-,13-/m1/s1",COc1cc([C@H]2OC[C@H]3C(=O)OC[C@@H]23)cc(OC)c1OC,C15H18O6,pos_1_1sodium,294.110338296,BYXOLWYJKZALLQ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Artemisia caruifolia,846950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia carvifolia'],6,0,6.0
7664,2075,-1,,,,0.0,MS1_match,QKZKNVOELVZISQ-NSHDSACASA-N,"InChI=1S/C15H18O6/c1-15(2,18)11(16)8-20-10-6-4-9-5-7-12(17)21-13(9)14(10)19-3/h4-7,11,16,18H,8H2,1-3H3/t11-/m0/s1",COc1c(OC[C@H](O)C(C)(C)O)ccc2ccc(=O)oc12,C15H18O6,pos_1_1sodium,294.110338296,QKZKNVOELVZISQ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia laciniata,821712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia laciniata'],6,0,6.0
7665,2075,-1,,,,0.0,MS1_match,NPBFXZQVEHCIBA-AOUIXSAXSA-N,"InChI=1S/C15H18O6/c1-6-7-4-5-14(2)10(16)8(9(7)19-12(6)17)15(3)11(20-15)13(18)21-14/h7-9,11,13,18H,1,4-5H2,2-3H3/t7-,8?,9-,11?,13?,14?,15?/m0/s1",C=C1C(=O)O[C@@H]2C3C(=O)C(C)(CC[C@@H]12)OC(O)C1OC13C,C15H18O6,pos_1_1sodium,294.110338296,NPBFXZQVEHCIBA,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Achillea crithmifolia,5346638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea crithmifolia'],6,0,6.0
7666,2075,-1,,,,0.0,MS1_match,BJPCIEHNZYNRIY-IGMMHVEYSA-N,"InChI=1S/C15H18O6/c1-6-4-9(18)12-13(21-14(19)15(12,20)5-16)11-7(2)3-8(17)10(6)11/h3,9,11-13,16,18,20H,4-5H2,1-2H3/t9-,11-,12+,13+,15+/m0/s1",CC1=CC(=O)C2=C(C)C[C@H](O)[C@@H]3[C@H](OC(=O)[C@@]3(O)CO)[C@@H]12,C15H18O6,pos_1_1sodium,294.110338296,BJPCIEHNZYNRIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Taraxacum platycarpum,793946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum platycarpum'],6,0,6.0
7667,2075,-1,,,,0.0,MS1_match,ITFJPAQQKHMDBK-GEIXFDOLSA-N,"InChI=1S/C15H18O6/c1-6-12-9-3-7(14(18)19-9)8(16)4-11-15(2,21-11)5-10(12)20-13(6)17/h3,6,8-12,16H,4-5H2,1-2H3/t6-,8+,9-,10+,11+,12+,15+/m1/s1",C[C@H]1C(=O)O[C@H]2C[C@]3(C)O[C@H]3C[C@H](O)C3=C[C@@H](OC3=O)[C@@H]21,C15H18O6,pos_1_1sodium,294.110338296,ITFJPAQQKHMDBK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania cordata,44709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordata'],6,0,6.0
7668,2075,-1,,,,0.0,MS1_match,ITFJPAQQKHMDBK-CIKFHZRBSA-N,"InChI=1S/C15H18O6/c1-6-12-9-3-7(14(18)19-9)8(16)4-11-15(2,21-11)5-10(12)20-13(6)17/h3,6,8-12,16H,4-5H2,1-2H3/t6-,8-,9+,10+,11-,12-,15+/m1/s1",C[C@H]1C(=O)O[C@H]2C[C@]3(C)O[C@@H]3C[C@@H](O)C3=C[C@H](OC3=O)[C@H]21,C15H18O6,pos_1_1sodium,294.110338296,ITFJPAQQKHMDBK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania micrantha,266305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania micrantha'],6,0,6.0
7669,2075,-1,,,,0.0,MS1_match,WXTWDABXJFQNRI-ZDUSSCGKSA-N,"InChI=1S/C15H18O6/c1-15(2,18)13(16)8-20-12-7-10-9(6-11(12)19-3)4-5-14(17)21-10/h4-7,13,16,18H,8H2,1-3H3/t13-/m0/s1",COc1cc2ccc(=O)oc2cc1OC[C@H](O)C(C)(C)O,C15H18O6,pos_1_1sodium,294.110338296,WXTWDABXJFQNRI,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon polystachyum,5921003.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon polystachyum'],6,0,6.0
7670,2075,-1,,,,0.0,MS1_match,RWQGBQMJEDNLOJ-NWCMXQQRSA-N,"InChI=1S/C15H18O6/c1-6-4-9-11(17)14(3)5-8(16)10-7(2)13(18)19-12(10)15(6,14)21-20-9/h4,7-10,12,16H,5H2,1-3H3/t7-,8-,9-,10+,12-,14-,15-/m0/s1",CC1=C[C@@H]2OO[C@]13[C@H]1OC(=O)[C@@H](C)[C@@H]1[C@@H](O)C[C@@]3(C)C2=O,C15H18O6,pos_1_1sodium,294.110338296,RWQGBQMJEDNLOJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia herba-alba,693395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia herba-alba'],6,0,6.0
7671,2075,-1,,,,0.0,MS1_match,PIUNLNXDSDCATM-DUBDDPSESA-N,"InChI=1S/C15H18O6/c1-6(16)4-10(18)13-8(3)15(20)21-14(13)12-7(2)9(17)5-11(12)19/h9-10,13-14,17-18H,3-5H2,1-2H3/t9-,10-,13+,14+/m0/s1",C=C1C(=O)O[C@H](C2=C(C)[C@@H](O)CC2=O)[C@H]1[C@@H](O)CC(C)=O,C15H18O6,pos_1_1sodium,294.110338296,PIUNLNXDSDCATM,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Artemisia ludoviciana,202533.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia ludoviciana'],6,0,6.0
7672,2075,-1,,,,0.0,MS1_match,UIIAQUHMLCGWJG-CHWSQXEVSA-N,"InChI=1S/C15H18O6/c1-15(2,17)13-12(19-4)10-7-6-20-14(16)11(7)8(18-3)5-9(10)21-13/h5,12-13,17H,6H2,1-4H3/t12-,13-/m1/s1",COc1cc2c(c3c1C(=O)OC3)[C@@H](OC)[C@H](C(C)(C)O)O2,C15H18O6,pos_1_1sodium,294.110338296,UIIAQUHMLCGWJG,Polyketides,Cyclic polyketides,Phthalide derivatives,Anaphalis busua,581190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Anaphalis'],['Anaphalis busua'],6,0,6.0
7673,2075,-1,,,,0.0,MS1_match,UIIAQUHMLCGWJG-CHWSQXEVSA-N,"InChI=1S/C15H18O6/c1-15(2,17)13-12(19-4)10-7-6-20-14(16)11(7)8(18-3)5-9(10)21-13/h5,12-13,17H,6H2,1-4H3/t12-,13-/m1/s1",COc1cc2c(c3c1C(=O)OC3)[C@@H](OC)[C@H](C(C)(C)O)O2,C15H18O6,pos_1_1sodium,294.110338296,UIIAQUHMLCGWJG,Polyketides,Cyclic polyketides,Phthalide derivatives,Anaphalis araneosa,7600614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Anaphalis'],['Anaphalis araneosa'],6,0,6.0
7674,2075,-1,,,,0.0,MS1_match,OKCFANZWACMBPW-IGMMHVEYSA-N,"InChI=1S/C15H18O6/c1-6-3-9(18)12-13(21-14(19)15(12,2)20)11-7(5-16)4-8(17)10(6)11/h4,9,11-13,16,18,20H,3,5H2,1-2H3/t9-,11-,12+,13+,15+/m0/s1",CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@](C)(O)[C@@H]2[C@@H](O)C1,C15H18O6,pos_1_1sodium,294.110338296,OKCFANZWACMBPW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lactuca tatarica,678390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca tatarica'],6,0,6.0
7675,2075,-1,,,,0.0,MS1_match,OKCFANZWACMBPW-IGMMHVEYSA-N,"InChI=1S/C15H18O6/c1-6-3-9(18)12-13(21-14(19)15(12,2)20)11-7(5-16)4-8(17)10(6)11/h4,9,11-13,16,18,20H,3,5H2,1-2H3/t9-,11-,12+,13+,15+/m0/s1",CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@](C)(O)[C@@H]2[C@@H](O)C1,C15H18O6,pos_1_1sodium,294.110338296,OKCFANZWACMBPW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Mulgedium pulchellum,5232432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Mulgedium'],['Mulgedium pulchellum'],6,0,6.0
7676,2075,-1,,,,0.0,MS1_match,OKCFANZWACMBPW-IGMMHVEYSA-N,"InChI=1S/C15H18O6/c1-6-3-9(18)12-13(21-14(19)15(12,2)20)11-7(5-16)4-8(17)10(6)11/h4,9,11-13,16,18,20H,3,5H2,1-2H3/t9-,11-,12+,13+,15+/m0/s1",CC1=C2C(=O)C=C(CO)[C@@H]2[C@H]2OC(=O)[C@](C)(O)[C@@H]2[C@@H](O)C1,C15H18O6,pos_1_1sodium,294.110338296,OKCFANZWACMBPW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lactuca pulchella,678390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lactuca'],['Lactuca tatarica'],6,0,6.0
7677,2075,-1,,,,0.0,MS1_match,OIIRJSNFKWXNDR-LWWSYDQCSA-N,"InChI=1S/C15H18O6/c1-8-2-3-12(18)14(6-16)5-11-10(4-9(8)14)15(20,7-17)13(19)21-11/h2-4,10-11,16-18,20H,5-7H2,1H3/t10-,11-,14-,15+/m0/s1",CC1=CC=C(O)[C@]2(CO)C[C@@H]3OC(=O)[C@@](O)(CO)[C@H]3C=C12,C15H18O6,pos_1_1sodium,294.110338296,OIIRJSNFKWXNDR,Terpenoids,,,Inula macrophylla,7607459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Inula'],['Inula macrophylla'],6,0,6.0
7678,2075,-1,,,,0.0,MS1_match,YDWPOGNXQRGSLE-KBRXKUPHSA-N,"InChI=1S/C15H18O6/c1-7(16)6-10(18)11-8(2)14(19)21-13(11)12-9(17)4-5-15(12,3)20/h4-5,10-13,18,20H,2,6H2,1,3H3/t10-,11+,12-,13-,15-/m0/s1",C=C1C(=O)O[C@H]([C@@H]2C(=O)C=C[C@]2(C)O)[C@H]1[C@@H](O)CC(C)=O,C15H18O6,pos_1_1sodium,294.110338296,YDWPOGNXQRGSLE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia ludoviciana,202533.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia ludoviciana'],6,0,6.0
7679,2075,-1,,,,0.0,MS1_match,SGHHVTZRFBZCIK-PXDPMPQASA-N,"InChI=1S/C15H18O6/c1-7-10(14(19)21-12(7)17)11-15(2)8(6-16)4-3-5-9(15)13(18)20-11/h6,8-9,11-12,17H,3-5H2,1-2H3/t8-,9+,11-,12+,15-/m0/s1",CC1=C([C@@H]2OC(=O)[C@H]3CCC[C@@H](C=O)[C@@]32C)C(=O)O[C@H]1O,C15H18O6,pos_1_1sodium,294.110338296,SGHHVTZRFBZCIK,Terpenoids,Sesquiterpenoids,Drimane sesquiterpenoids,Ligularia hodgsonii,619949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia hodgsonii'],6,0,6.0
7680,2075,-1,,,,0.0,MS1_match,WXTWDABXJFQNRI-UHFFFAOYSA-N,"InChI=1S/C15H18O6/c1-15(2,18)13(16)8-20-12-7-10-9(6-11(12)19-3)4-5-14(17)21-10/h4-7,13,16,18H,8H2,1-3H3",COc1cc2ccc(=O)oc2cc1OCC(O)C(C)(C)O,C15H18O6,pos_1_1sodium,294.110338296,WXTWDABXJFQNRI,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon alopecuroides,5920997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon alopecuroides'],6,0,6.0
7681,2075,-1,,,,0.0,MS1_match,ULWGMHRYQJWYAA-QHZBZUKESA-N,"InChI=1S/C15H18O6/c1-5-7-6(16)4-13(2,18)15-9(8(7)19-12(5)17)14(3)10(20-14)11(15)21-15/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,11+,13+,14+,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23,C15H18O6,pos_1_1sodium,294.110338296,ULWGMHRYQJWYAA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea biebersteinii,768354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea biebersteinii'],6,0,6.0
7682,2075,-1,,,,0.0,MS1_match,MAHPANYZARJSAV-AQWLBVFKSA-N,"InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2/t17-,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@H]12,C30H36O12,pos_2_2sodium,588.220676592,MAHPANYZARJSAV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeris repens,16894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeris'],['Ixeris repens'],6,0,6.0
7683,2075,-1,,,,0.0,MS1_match,MAHPANYZARJSAV-UHFFFAOYSA-N,"InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2",C=C1CC(OC(=O)C(O)Cc2ccc(O)cc2)C2C(=C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3O)CC12,C30H36O12,pos_2_2sodium,588.220676592,MAHPANYZARJSAV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Crepis tectorum,368809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Crepis'],['Crepis tectorum'],6,0,6.0
7684,2075,-1,,,,0.0,MS1_match,MAHPANYZARJSAV-AQWLBVFKSA-N,"InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2/t17-,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@H]12,C30H36O12,pos_2_2sodium,588.220676592,MAHPANYZARJSAV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lapsana communis,353449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lapsana'],['Lapsana communis'],6,0,6.0
7685,2075,-1,,,,0.0,MS1_match,MAHPANYZARJSAV-AQWLBVFKSA-N,"InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2/t17-,18+,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@H]12,C30H36O12,pos_2_2sodium,588.220676592,MAHPANYZARJSAV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeridium dentatum,232769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeridium'],['Ixeridium dentatum'],6,0,6.0
7686,2075,-1,,,,0.0,MS1_match,GTXJTCMGBHOAQX-UHFFFAOYSA-N,"InChI=1S/C30H36O12/c1-12-8-19(34)24-14(3)29(38)42-27(24)23-13(2)20(10-16(12)23)39-30-28(26(37)25(36)21(11-31)40-30)41-22(35)7-5-15-4-6-17(32)18(33)9-15/h4-7,9,14,16,19-21,23-28,30-34,36-37H,1-2,8,10-11H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(OC3OC(CO)C(O)C(O)C3OC(=O)C=Cc3ccc(O)c(O)c3)CC12,C30H36O12,pos_2_2sodium,588.220676592,GTXJTCMGBHOAQX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ainsliaea fragrans,119456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Pertyeae'],['Ainsliaea'],['Ainsliaea fragrans'],6,0,6.0
7687,2075,-1,,,,0.0,MS1_match,ZWPBLILWVHAYBJ-KAVHVRHYSA-N,"InChI=1S/C30H36O12/c1-15-24-20(40-28(15)36)10-17(4-3-5-18-12-21(24)41-29(18)37-2)13-39-30-27(35)26(34)25(33)22(42-30)14-38-23(32)11-16-6-8-19(31)9-7-16/h5-10,20-22,24-27,29-31,33-35H,1,3-4,11-14H2,2H3/b17-10-,18-5+/t20-,21+,22-,24+,25-,26+,27-,29+,30-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C3\C[C@H](O[C@@H]3OC)[C@@H]12,C30H36O12,pos_2_2sodium,588.2206765919998,ZWPBLILWVHAYBJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Sonchus asper,761937.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus asper'],6,0,6.0
7688,2075,-1,,,,0.0,MS1_match,ZWPBLILWVHAYBJ-OFLDCNQXSA-N,"InChI=1S/C30H36O12/c1-15-24-20(40-28(15)36)10-17(4-3-5-18-12-21(24)41-29(18)37-2)13-39-30-27(35)26(34)25(33)22(42-30)14-38-23(32)11-16-6-8-19(31)9-7-16/h5-10,20-22,24-27,29-31,33-35H,1,3-4,11-14H2,2H3/b17-10-,18-5-/t20-,21+,22-,24+,25-,26+,27-,29+,30-/m1/s1",C=C1C(=O)O[C@@H]2/C=C(\CO[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C3/C[C@H](O[C@@H]3OC)[C@@H]12,C30H36O12,pos_2_2sodium,588.2206765919998,ZWPBLILWVHAYBJ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Sonchus oleraceus,827582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus oleraceus'],6,0,6.0
7689,2075,-1,,,,0.0,MS1_match,WXTWDABXJFQNRI-ZDUSSCGKSA-N,"InChI=1S/C15H18O6/c1-15(2,18)13(16)8-20-12-7-10-9(6-11(12)19-3)4-5-14(17)21-10/h4-7,13,16,18H,8H2,1-3H3/t13-/m0/s1",COc1cc2ccc(=O)oc2cc1OC[C@H](O)C(C)(C)O,C15H18O6,pos_1_1sodium,294.110338296,WXTWDABXJFQNRI,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Pterocaulon lanatum,5921001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pterocaulon'],['Pterocaulon lanatum'],6,0,6.0
7690,2075,-1,,,,0.0,MS1_match,JBVIPCMYVQEGIS-IOOGOYMESA-N,"InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-18,20-27,30-36H,1,3,8-11H2,2H3/t17-,18+,20+,21+,22-,23+,24+,25-,26+,27+,30+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@H]3C(=C)C[C@@H](OC(=O)[C@H](O)Cc3ccc(O)cc3)[C@@H]12,C30H36O12,pos_2_2sodium,588.220676592,JBVIPCMYVQEGIS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lapsana communis,353449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Lapsana'],['Lapsana communis'],6,0,6.0
7691,2075,-1,,,,0.0,MS1_match,IAJHNIAIXZMRLV-UHFFFAOYSA-N,"InChI=1S/C15H18O6/c1-10(16)19-8-4-5-13-6-7-14(20-11(2)17)15(9-13)21-12(3)18/h6-7,9H,4-5,8H2,1-3H3",CC(=O)OCCCc1ccc(OC(C)=O)c(OC(C)=O)c1,C15H18O6,pos_1_1sodium,294.110338296,IAJHNIAIXZMRLV,Shikimates and Phenylpropanoids,,,Tetraneuris linearifolia,3900035.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Tetraneuris'],['Tetraneuris linearifolia'],6,0,6.0
7692,2075,-1,,,,0.0,MS1_match,CHIIPZUFYBRRCK-VIFPVBQESA-N,"InChI=1S/C15H18O6/c1-9(8-16)5-6-20-15-12(19-2)7-11(17)10-3-4-13(18)21-14(10)15/h3-4,7,9,16-17H,5-6,8H2,1-2H3/t9-/m0/s1",COc1cc(O)c2ccc(=O)oc2c1OCC[C@H](C)CO,C15H18O6,pos_1_1sodium,294.110338296,CHIIPZUFYBRRCK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia laciniata,821712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia laciniata'],6,0,6.0
7693,2075,-1,,,,0.0,MS1_match,CHIIPZUFYBRRCK-VIFPVBQESA-N,"InChI=1S/C15H18O6/c1-9(8-16)5-6-20-15-12(19-2)7-11(17)10-3-4-13(18)21-14(10)15/h3-4,7,9,16-17H,5-6,8H2,1-2H3/t9-/m0/s1",COc1cc(O)c2ccc(=O)oc2c1OCC[C@H](C)CO,C15H18O6,pos_1_1sodium,294.110338296,CHIIPZUFYBRRCK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Artemisia armeniaca,1080920.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia armeniaca'],6,0,6.0
7694,2075,-1,,,,0.0,MS1_match,ULWGMHRYQJWYAA-QHZBZUKESA-N,"InChI=1S/C15H18O6/c1-5-7-6(16)4-13(2,18)15-9(8(7)19-12(5)17)14(3)10(20-14)11(15)21-15/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,11+,13+,14+,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23,C15H18O6,pos_1_1sodium,294.110338296,ULWGMHRYQJWYAA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea crithmifolia,5346638.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea crithmifolia'],6,0,6.0
7695,2075,-1,,,,0.0,MS1_match,ULWGMHRYQJWYAA-QHZBZUKESA-N,"InChI=1S/C15H18O6/c1-5-7-6(16)4-13(2,18)15-9(8(7)19-12(5)17)14(3)10(20-14)11(15)21-15/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,11+,13+,14+,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23,C15H18O6,pos_1_1sodium,294.110338296,ULWGMHRYQJWYAA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea setacea,870478.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea setacea'],6,0,6.0
7696,2075,-1,,,,0.0,MS1_match,ULWGMHRYQJWYAA-QHZBZUKESA-N,"InChI=1S/C15H18O6/c1-5-7-6(16)4-13(2,18)15-9(8(7)19-12(5)17)14(3)10(20-14)11(15)21-15/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,11+,13+,14+,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23,C15H18O6,pos_1_1sodium,294.110338296,ULWGMHRYQJWYAA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ajania fastigiata,729288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ajania'],['Ajania fastigiata'],6,0,6.0
7697,2075,-1,,,,0.0,MS1_match,ULWGMHRYQJWYAA-QHZBZUKESA-N,"InChI=1S/C15H18O6/c1-5-7-6(16)4-13(2,18)15-9(8(7)19-12(5)17)14(3)10(20-14)11(15)21-15/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,11+,13+,14+,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23,C15H18O6,pos_1_1sodium,294.110338296,ULWGMHRYQJWYAA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia tripartita,202523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia tripartita'],6,0,6.0
7698,2075,-1,,,,0.0,MS1_match,AZPMXDLKXKTONE-JIIQCKFFSA-N,"InChI=1S/C30H36O12/c1-13-16-8-9-30(3,38)17-11-20(14(2)23(17)27(16)42-28(13)37)40-29-26(36)25(35)24(34)21(41-29)12-39-22(33)7-5-15-4-6-18(31)19(32)10-15/h4-7,10,16-17,20-21,23-27,29,31-32,34-36,38H,1-2,8-9,11-12H2,3H3/b7-5+/t16-,17+,20-,21+,23-,24+,25-,26+,27-,29+,30+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1O[C@@H]1O[C@H](COC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O,C30H36O12,pos_2_2sodium,588.220676592,AZPMXDLKXKTONE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ixeridium dentatum,232769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Ixeridium'],['Ixeridium dentatum'],6,0,6.0
7699,2075,-1,,,,0.0,MS1_match,BOULZLPJBSIUKG-QYBYEJDKSA-N,"InChI=1S/C25H26O14/c1-8(2)24(35)36-7-14-17(29)20(32)22(34)25(39-14)38-13-6-12-15(18(30)16(13)28)19(31)21(33)23(37-12)9-3-4-10(26)11(27)5-9/h3-6,8,14,17,20,22,25-30,32-34H,7H2,1-2H3/t14-,17-,20+,22-,25-/m1/s1",CC(C)C(=O)OC[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C25H26O14,pos_2_2proton2acetonitrile,550.1322555119998,BOULZLPJBSIUKG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Buphthalmum salicifolium,434009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Buphthalmum'],['Buphthalmum salicifolium'],6,0,6.0
7700,2074,130,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,ISHWKTCRBUWMIR-BTLXJWPCSA-N,"InChI=1S/C29H48O11/c1-3-4-12-15-21-16-13-10-8-6-5-7-9-11-14-17-24(33)39-28-27(40-25(34)18-23(31)32)26(35)22(19-36-20(2)30)38-29(28)37-21/h21-22,26-29,35H,3-19H2,1-2H3,(H,31,32)/t21-,22-,26-,27+,28-,29-/m1/s1",CCCCC[C@@H]1CCCCCCCCCCCC(=O)O[C@H]2[C@H](O1)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2OC(=O)CC(=O)O,C29H48O11,pos_1_1proton1ethylamine,572.319662356,ISHWKTCRBUWMIR,,,,Silene gallica,842195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene gallica'],6,0,6.0
7701,2074,130,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,SYNHBEBSRWLJAG-BTLXJWPCSA-N,"InChI=1S/C29H48O11/c1-3-4-5-12-15-21-16-13-10-8-6-7-9-11-14-17-24(33)39-28-27(40-25(34)18-23(31)32)26(35)22(19-36-20(2)30)38-29(28)37-21/h21-22,26-29,35H,3-19H2,1-2H3,(H,31,32)/t21-,22-,26-,27+,28-,29-/m1/s1",CCCCCC[C@@H]1CCCCCCCCCCC(=O)O[C@H]2[C@H](O1)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2OC(=O)CC(=O)O,C29H48O11,pos_1_1proton1ethylamine,572.319662356,SYNHBEBSRWLJAG,,,,Silene gallica,842195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene gallica'],6,0,6.0
7702,2072,101,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49695644,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Rhodomela confervoides,855466.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Rhodomela'],['Rhodomela confervoides'],2,3,5.4878257513046265
7703,2072,101,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49695644,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia lanosa,359042.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Vertebrata'],['Vertebrata lanosa'],2,3,5.4878257513046265
7704,2072,101,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49695644,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia stricta,670250.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia stricta'],2,3,5.4878257513046265
7705,2072,101,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49695644,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia urceolata,795169.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia urceolata'],2,3,5.4878257513046265
7706,2072,101,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49695644,ISDB,GVSGSHGXUXLQNS-UHFFFAOYSA-N,"InChI=1S/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H",O=Cc1cc(O)c(O)c(Br)c1,C7H5BrO3,,215.94220612,GVSGSHGXUXLQNS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Polysiphonia morrowii,723100.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Unknown'],['Polysiphonia'],['Polysiphonia morrowii'],2,3,5.4878257513046265
7707,2070,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.3142089,ISDB,GPVDHNVGGIAOQT-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)",COc1ccc(C(=O)O)c(OC)c1,C9H10O4,,182.0579088,GPVDHNVGGIAOQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],5,3,7.756835579872131
7708,2068,489,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,0.33595574,ISDB,,,,,,,YORFARYZVMMOCP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.343822956085205
7709,2066,-1,,,,0.2144686,ISDB,FJVZPYDTFJWBQD-QCLVDHRXSA-N,"InChI=1S/C29H44O5/c1-7-8-9-10-11-13-20(2)14-12-15-26(30)34-25-17-16-23-27(31)29(32-6)24(21(3)19-33-29)18-28(23,5)22(25)4/h11-15,22-25,27,31H,3,7-10,16-19H2,1-2,4-6H3/b13-11+,15-12+,20-14+/t22-,23-,24-,25+,27-,28+,29-/m0/s1",C=C1CO[C@@]2(OC)[C@H]1C[C@]1(C)[C@@H](C)[C@H](OC(=O)/C=C/C=C(C)/C=C/CCCCC)CC[C@H]1[C@@H]2O,C29H44O5,,472.318874508,FJVZPYDTFJWBQD,Terpenoids,,,Senecio speciosus,7609793.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio speciosus'],1,0,1.8578743934631348
7710,2064,524,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.30912927,ISDB,XFZJEEAOWLFHDH-NFJBMHMQSA-N,"InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2,C30H26O12,,578.142426272,XFZJEEAOWLFHDH,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,9.736517071723938
7711,2063,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7960289,ISDB,LBHQTVBKPMHICN-MDZDMXLPSA-N,"InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)/b10-9+",CCCCCCCC/C=C/CCCCCCCCCC(N)=O,C20H39NO,,309.303164868,LBHQTVBKPMHICN,Fatty acids,Fatty amides,Primary amides,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,1,3.6841156482696533
7712,2061,-1,,,,0.33143902,ISDB,JEEKFYIEZDNHGK-OHTBPHCPSA-N,"InChI=1S/C15H24O2/c1-14(2)7-4-8-15(3)11(14)6-5-10-9-17-13(16)12(10)15/h10-12H,4-9H2,1-3H3/t10-,11-,12+,15-/m0/s1",CC1(C)CCC[C@]2(C)[C@H]3C(=O)OC[C@@H]3CC[C@@H]12,C15H24O2,,236.177630008,JEEKFYIEZDNHGK,Terpenoids,Diterpenoids,Spongiane diterpenoids,Dysidea,197752.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Dysideidae'],['Unknown'],['Dysidea'],['Unknown'],2,0,3.325756072998047
7713,2057,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7535633,ISDB,NYFGVUCTLCDUFF-SKCDSABHSA-N,"InChI=1S/C25H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30-5)23-31-21-24(27)22-33-34(28,29)32-20-19-26(2,3)4/h16-17,24-25,27H,6-15,18-23H2,1-5H3/t24-,25?/m0/s1",CCCCCCCCCCCC=CCC(COC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C)OC,C25H52NO7P,,509.348139634,NYFGVUCTLCDUFF,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,4.51425313949585
7714,2055,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,IBDIFTBEAJHIPD-NOJQTOCASA-N,"InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h3,9-15,17-22H,4-7H2,1-2H3/t9-,10-,11+,12-,13+,14-,15-,16-/m1/s1",CC(C)=CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C16H28O10,pos_1_1proton1ammonium,380.1682470959999,IBDIFTBEAJHIPD,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,1,7.5
7715,2055,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,DZEALCQVCAOHSL-NOJQTOCASA-N,"InChI=1S/C16H28O10/c1-8(2)3-4-23-14-12(20)11(19)10(18)9(26-14)5-24-15-13(21)16(22,6-17)7-25-15/h9-15,17-22H,1,3-7H2,2H3/t9-,10-,11+,12-,13+,14-,15-,16-/m1/s1",C=C(C)CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C16H28O10,pos_1_1proton1ammonium,380.168247096,DZEALCQVCAOHSL,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,1,7.5
7716,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,3,8.688332080841064
7717,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Vicia faba,539544.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Vicia'],['Vicia faba'],4,3,8.688332080841064
7718,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],4,3,8.688332080841064
7719,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Ardisia crenata,776705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Ardisia'],['Ardisia crenata'],4,3,8.688332080841064
7720,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Psychotria punctata,171145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Rubiaceae'],['Psychotrieae'],['Psychotria'],['Psychotria punctata'],4,3,8.688332080841064
7721,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,8.688332080841064
7722,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-ZETCQYMHSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1",CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Panax ginseng,524063.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Araliaceae'],['Unknown'],['Panax'],['Panax ginseng'],4,3,8.688332080841064
7723,2054,229,Amino acids and Peptides,Small peptides,Dipeptides,0.797083,ISDB,GHOKWGTUZJEAQD-UHFFFAOYSA-N,"InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)",CC(C)(CO)C(O)C(=O)NCCC(=O)O,C9H17NO5,,219.110672644,GHOKWGTUZJEAQD,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,8.688332080841064
7724,2053,-1,,,,0.49365368,ISDB,WQGWDDDVZFFDIG-UHFFFAOYSA-N,"InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H",Oc1cccc(O)c1O,C6H6O3,,126.031694052,WQGWDDDVZFFDIG,Shikimates and Phenylpropanoids,,,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],8,0,9.97461473941803
7725,2052,-1,,,,0.0,MS1_match,FXFBVZOJVHCEDO-FHKSGDNWSA-N,"InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m0/s1",O[C@H]1[C@H](O)[C@@H](O)[C@@]2(O)CC[C@@H]1N2,C7H13NO4,pos_1_1potassium,175.084457896,FXFBVZOJVHCEDO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7726,2050,58,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.35568944,ISDB,HITQLOOAHMTOMZ-POENEODOSA-N,"InChI=1S/C30H41NO3/c1-18(2)10-9-14-28(4)25(34-19(3)32)13-15-29(5)26(28)24(33)17-20-16-22-21-11-7-8-12-23(21)31-27(22)30(20,29)6/h7-8,10-12,20,24-26,31,33H,9,13-17H2,1-6H3/t20-,24-,25+,26+,28-,29+,30-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](O)C[C@H]3Cc4c([nH]c5ccccc45)[C@@]32C)[C@]1(C)CCC=C(C)C,C30H41NO3,,463.308644172,HITQLOOAHMTOMZ,Alkaloids,Tryptophan alkaloids,Indole-Diterpenoid alkaloids (Penitrems),Aspergillus sclerotiicarbonarius,882509.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus sclerotiicarbonarius'],0,1,1.9227577447891235
7727,2043,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,XLXHGROHDWBKGZ-CYMWXXARSA-N,"InChI=1S/C19H24O3/c1-10-4-6-18(3)12(8-10)5-7-19-14(18)9-13-15(16(19)22-19)11(2)17(20)21-13/h9-10,12,14,16H,4-8H2,1-3H3/t10-,12-,14+,16?,18-,19?/m1/s1",CC1=C2C(=C[C@@H]3C4(CC[C@@H]5C[C@H](C)CC[C@]53C)OC24)OC1=O,C19H24O3,pos_2MMg,300.172544628,XLXHGROHDWBKGZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],8,1,8.5
7728,2040,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_2_1iron,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7729,2040,-1,,,,0.0,MS1_match,HDXIQHTUNGFJIC-FYWNQNALSA-N,"InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-36-34(32(44)30(42)27(16-40)49-36)50-35-33(45)31(43)29(41)20(3)47-35/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18?,19-,20-,22?,23+,24-,25-,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39+/m0/s1",CC1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C39H62O12,pos_2_1iron,722.424127424,HDXIQHTUNGFJIC,Terpenoids,Steroids,Spirostane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
7730,2039,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_1_1proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
7731,2039,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,0,8.0
7732,2039,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
7733,2039,-1,,,,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0
7734,2039,-1,,,,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_1_1proton,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
7735,2039,-1,,,,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0
7736,2039,-1,,,,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
7737,2039,-1,,,,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0
7738,2039,-1,,,,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
7739,2039,-1,,,,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0
7740,2039,-1,,,,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_1_1proton,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0
7741,2039,-1,,,,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_1_1proton,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
7742,2038,-1,,,,0.0,MS1_match,FZKBNCDAGYDHTP-OBLZSLNYSA-N,"InChI=1S/C21H20O12/c22-8-4-11(25)14-12(5-8)32-19(7-1-2-9(23)10(24)3-7)20(16(14)27)31-6-13-15(26)17(28)18(29)21(30)33-13/h1-5,13,15,17-18,21-26,28-30H,6H2/t13?,15-,17-,18+,21?/m1/s1",O=c1c(OCC2OC(O)[C@@H](O)[C@H](O)[C@@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,FZKBNCDAGYDHTP,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,0,8.0
7743,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],8,0,8.0
7744,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,8.0
7745,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],8,0,8.0
7746,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,0,8.0
7747,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,8.0
7748,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,8.0
7749,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],8,0,8.0
7750,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],8,0,8.0
7751,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,0,8.0
7752,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,8.0
7753,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,0,8.0
7754,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,0,8.0
7755,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
7756,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],8,0,8.0
7757,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],8,0,8.0
7758,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],8,0,8.0
7759,2038,-1,,,,0.0,MS1_match,OPJZLUXFQFQYAI-GNPVFZCLSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia marschalliana,969004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia marschalliana'],8,0,8.0
7760,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,0,8.0
7761,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],8,0,8.0
7762,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,0,8.0
7763,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,0,8.0
7764,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,0,8.0
7765,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,0,8.0
7766,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,0,8.0
7767,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,0,8.0
7768,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],8,0,8.0
7769,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,0,8.0
7770,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],8,0,8.0
7771,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],8,0,8.0
7772,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],8,0,8.0
7773,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,0,8.0
7774,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,0,8.0
7775,2038,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
7776,2038,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,0,8.0
7777,2038,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,0,8.0
7778,2038,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
7779,2038,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,0,8.0
7780,2038,-1,,,,0.0,MS1_match,DCYOADKBABEMIQ-OWMUPTOHSA-N,"InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1",C[C@@H]1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O,C21H20O12,pos_1_1sodium,464.0954760799998,DCYOADKBABEMIQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,0,8.0
7781,2038,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,0,8.0
7782,2038,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia macroclada,3912086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia macroclada'],8,0,8.0
7783,2038,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,0,8.0
7784,2038,-1,,,,0.0,MS1_match,BBFYUPYFXSSMNV-HMGRVEAOSA-N,"InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)31-8-4-11(25)14-12(5-8)32-20(18(29)16(14)27)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799997,BBFYUPYFXSSMNV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia macroclada,3912086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia macroclada'],8,0,8.0
7785,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],8,0,8.0
7786,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],8,0,8.0
7787,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,0,8.0
7788,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],8,0,8.0
7789,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,8.0
7790,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,0,8.0
7791,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
7792,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],8,0,8.0
7793,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],8,0,8.0
7794,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],8,0,8.0
7795,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
7796,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,0,8.0
7797,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],8,0,8.0
7798,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,0,8.0
7799,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,0,8.0
7800,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,0,8.0
7801,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,0,8.0
7802,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,0,8.0
7803,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,0,8.0
7804,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,8.0
7805,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
7806,2038,-1,,,,0.0,MS1_match,OPJZLUXFQFQYAI-GNPVFZCLSA-N,"InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OPJZLUXFQFQYAI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,0,8.0
7807,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,0,8.0
7808,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,0,8.0
7809,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DHALZPNHSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
7810,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],8,0,8.0
7811,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virgata,886005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virgata'],8,0,8.0
7812,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-IDRAQACASA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17-,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia larica,969006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia larica'],8,0,8.0
7813,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,0,8.0
7814,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia turczaninowii,876267.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia turczaninowii'],8,0,8.0
7815,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],8,0,8.0
7816,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,0,8.0
7817,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,0,8.0
7818,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia pekinensis,652181.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pekinensis'],8,0,8.0
7819,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,0,8.0
7820,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,0,8.0
7821,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia prostrata,504121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia prostrata'],8,0,8.0
7822,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],8,0,8.0
7823,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
7824,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,8.0
7825,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-QSOFNFLRSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,8.0
7826,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,0,8.0
7827,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],8,0,8.0
7828,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,0,8.0
7829,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],8,0,8.0
7830,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],8,0,8.0
7831,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia smirnovii,3912047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia smirnovii'],8,0,8.0
7832,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,8.0
7833,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,8.0
7834,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-UHFFFAOYSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799999,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia oblongifolia,14607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oblongifolia'],8,0,8.0
7835,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,0,8.0
7836,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,8.0
7837,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia scripta,3912857.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia scripta'],8,0,8.0
7838,2038,-1,,,,0.0,MS1_match,OVSQVDMCBVZWGM-DTGCRPNFSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1sodium,464.0954760799998,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,8.0
7839,2036,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RKWHWFONKJEUEF-WVXKDWSHSA-O,"InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O,C21H21O11+,pos_1_1proton,449.10783791208985,RKWHWFONKJEUEF,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
7840,2036,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PEFNSGRTCBGNAN-RQUKQETFSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
7841,2036,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,PEFNSGRTCBGNAN-RQUKQETFSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m0/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
7842,2036,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
7843,2036,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,pos_1_1proton,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
7844,2035,68,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.76203203,ISDB,SKOJWJADWCAPSY-FGZHOGPDSA-N,"InChI=1S/C23H48NO7P/c1-20(2)14-12-10-8-7-9-11-13-15-21(3)23(26)29-18-22(25)19-31-32(27,28)30-17-16-24(4,5)6/h20-22,25H,7-19H2,1-6H3/t21-,22-/m1/s1",CC(C)CCCCCCCCC[C@@H](C)C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C23H48NO7P,,481.316839506,SKOJWJADWCAPSY,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Stelletta,662723.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Stelletta'],['Unknown'],0,3,4.548128128051758
7845,2034,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5082732,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,10.533092737197876
7846,2034,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5082732,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,10.533092737197876
7847,2034,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5082732,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,10.533092737197876
7848,2034,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5082732,ISDB,NETSQGRTUNRXEO-UHFFFAOYSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2",C=C1C(=O)OC2C1CCC(=C)C1CCC(=C)C12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.533092737197876
7849,2034,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5082732,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cirsium carolinianum,3894747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium carolinianum'],7,3,10.533092737197876
7850,2034,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5082732,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.533092737197876
7851,2034,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5082732,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.533092737197876
7852,2033,275,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.0,MS1_match,ZTALKMXOHWQNIA-LVMPZUNDSA-N,"InChI=1S/C15H22O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8,12,17H,9-10H2,1-4H3/b7-5+,11-6+/t12-,14+,15-/m0/s1",CC(/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=O,C15H22O3,pos_1_minus1proton1magnesium,250.156894564,ZTALKMXOHWQNIA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,3,7.5
7853,2029,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.5379742,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.651896715164185
7854,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
7855,2027,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
7856,2027,-1,,,,0.0,MS1_match,PFDGLXOOSQNAKH-IQXKZXBGSA-N,"InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9-,10+,11+,12+,13-,15-/m1/s1",C=C1[C@@H](O)C[C@H](O)[C@@]2(C)CC[C@H]3[C@@H](OC(=O)[C@@H]3C)[C@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PFDGLXOOSQNAKH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
7857,2027,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-LFYQSXPISA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14+,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum acaulon,841324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum acaulon'],7,0,7.0
7858,2027,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-LFYQSXPISA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14+,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paniculata,735135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paniculata'],7,0,7.0
7859,2027,-1,,,,0.0,MS1_match,OTDCMOJEHBGCAO-WVCIDPQESA-N,"InChI=1S/C17H22O4/c1-7-17(6)8-12(20-11(5)18)13-10(4)16(19)21-15(13)14(17)9(2)3/h7,12-15H,1-2,4,8H2,3,5-6H3/t12-,13-,14-,15+,17-/m1/s1",C=C[C@]1(C)C[C@@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C,C17H22O4,pos_1_1proton1ammonium,290.151809184,OTDCMOJEHBGCAO,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea australis,337140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus chilensis'],7,0,7.0
7860,2027,-1,,,,0.0,MS1_match,UGBHLGXQNHUOHV-UMIWPCRESA-N,"InChI=1S/C15H22O4/c1-7-10-4-3-9(6-16)11-5-12(17)8(2)13(11)14(10)19-15(7)18/h7-8,10,12-14,16-17H,3-6H2,1-2H3/t7-,8-,10+,12-,13+,14+/m0/s1",C[C@@H]1[C@@H]2C(=C(CO)CC[C@H]3[C@H]2OC(=O)[C@H]3C)C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,UGBHLGXQNHUOHV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
7861,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
7862,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea sicula,3894207.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sicula'],7,0,7.0
7863,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
7864,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
7865,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
7866,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
7867,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
7868,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
7869,2027,-1,,,,0.0,MS1_match,LWHRXFOPIDTJSG-PFKAGXPPSA-N,"InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-14,16-17H,1,4-5H2,2-3H3/t7-,8+,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LWHRXFOPIDTJSG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
7870,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
7871,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
7872,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
7873,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea,1030541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Unknown'],7,0,7.0
7874,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum tauricum,795542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum tauricum'],7,0,7.0
7875,2027,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
7876,2027,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QLKRELFBSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12+,13-,14-/m1/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
7877,2027,-1,,,,0.0,MS1_match,OUPKJRAFJRTDMN-HJPYRHJCSA-N,"InChI=1S/C15H18O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h6,9,11-13,17H,2,4-5H2,1,3H3/t9-,11+,12-,13+,15+/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](O)C(=O)C=C(C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,OUPKJRAFJRTDMN,Terpenoids,Sesquiterpenoids,Iphionane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
7878,2027,-1,,,,0.0,MS1_match,LASQZSRKRLHSPX-URFZWBKFSA-N,"InChI=1S/C15H22O4/c1-5-14(3)7-6-10-12(11(14)9(2)8-16)19-13(17)15(10,4)18/h5,10-12,16,18H,1-2,6-8H2,3-4H3/t10-,11-,12-,14-,15-/m1/s1",C=C[C@]1(C)CC[C@@H]2[C@@H](OC(=O)[C@]2(C)O)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LASQZSRKRLHSPX,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea,1030541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Unknown'],7,0,7.0
7879,2027,-1,,,,0.0,MS1_match,GSLRFQSAMMVDEI-RYLXROFPSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)6-14-12(7-13(9)17)10(2)15(18)19-14/h4,6,10,12-14,16-17H,3,5,7-8H2,1-2H3/b9-4-,11-6+/t10-,12-,13-,14+/m0/s1",C/C1=C/CC/C(CO)=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,GSLRFQSAMMVDEI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
7880,2027,-1,,,,0.0,MS1_match,MQRHMIQHZYPICC-YRTQZTBLSA-N,"InChI=1S/C15H22O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7-13,17H,3-6H2,1-2H3/t8-,9-,10-,11+,12+,13-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@@H](C=O)[C@H]21,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,MQRHMIQHZYPICC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea gradata,6057302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea decipiens'],7,0,7.0
7881,2027,-1,,,,0.0,MS1_match,MQRHMIQHZYPICC-NOVMUXRISA-N,"InChI=1S/C15H22O4/c1-8-11-10(17)6-15(2)5-3-4-9(7-16)12(15)13(11)19-14(8)18/h7-13,17H,3-6H2,1-2H3/t8-,9+,10-,11+,12+,13-,15+/m0/s1",C[C@@H]1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@@]1(C)CCC[C@H](C=O)[C@H]21,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,MQRHMIQHZYPICC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
7882,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea napifolia,726026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea napifolia'],7,0,7.0
7883,2027,-1,,,,0.0,MS1_match,TVHFAQKTIGHVST-PVZBEVCSSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10-11(9(3)14(18)19-10)13(17)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10+,11-,12-,13+,15-/m1/s1",C=C[C@]1(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](O)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,TVHFAQKTIGHVST,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
7884,2027,-1,,,,0.0,MS1_match,NYRGUJSEUJUXBF-UHFFFAOYSA-N,"InChI=1S/C15H22O4/c1-11(2)4-3-9-19-15(18)8-6-12-5-7-13(16)14(17)10-12/h5,7,10-11,16-17H,3-4,6,8-9H2,1-2H3",CC(C)CCCOC(=O)CCc1ccc(O)c(O)c1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,NYRGUJSEUJUXBF,Shikimates and Phenylpropanoids,,,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
7885,2027,-1,,,,0.0,MS1_match,QMBKDJABOPPEQF-NJXKZCCBSA-N,"InChI=1S/C15H22O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h8-13,16,18H,1,4-6H2,2-3H3/t8-,9-,10+,11+,12-,13-,15+/m1/s1",C=C1CC[C@H]2[C@@H](OC(=O)[C@@]2(C)O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,QMBKDJABOPPEQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,0,7.0
7886,2027,-1,,,,0.0,MS1_match,ZTRSVJILTKDCGR-IHWVXMPCSA-N,"InChI=1S/C15H18O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,7,10-13,17H,1-3,6H2,4H3/t10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C=O,C15H18O4,pos_1_1proton1ethylamine,262.120509056,ZTRSVJILTKDCGR,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
7887,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
7888,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum myriacanthum,3894487.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum myriacanthum'],7,0,7.0
7889,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
7890,2027,-1,,,,0.0,MS1_match,BJNRYKWHTCAVLA-JSXSYOHWSA-N,"InChI=1S/C15H22O4/c1-5-15(4)6-10(17)11-9(3)14(18)19-13(11)12(15)8(2)7-16/h5,9-13,16-17H,1-2,6-7H2,3-4H3/t9-,10-,11+,12+,13-,15+/m0/s1",C=C[C@]1(C)C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]1C(=C)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,BJNRYKWHTCAVLA,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
7891,2027,-1,,,,0.0,MS1_match,PXBZMGHIEDYLOI-JSGCOSHPSA-N,"InChI=1S/C15H22O4/c1-10-4-3-5-14(2)12(10)6-11(7-13(14)18)15(19,8-16)9-17/h7,12,16-17,19H,1,3-6,8-9H2,2H3/t12-,14-/m0/s1",C=C1CCC[C@]2(C)C(=O)C=C(C(O)(CO)CO)C[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PXBZMGHIEDYLOI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,0,7.0
7892,2027,-1,,,,0.0,MS1_match,SQNNWZYJAHLOGG-ABSBZMSDSA-N,"InChI=1S/C17H22O4/c1-8-5-6-12-9(2)17(19)21-16(12)15-10(3)14(7-13(8)15)20-11(4)18/h9,12-16H,1,3,5-7H2,2,4H3/t9-,12+,13-,14-,15-,16-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@H]3CCC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O4,pos_1_1proton1ammonium,290.151809184,SQNNWZYJAHLOGG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
7893,2027,-1,,,,0.0,MS1_match,HKIIPLGMBYVADK-QNGFJZMXSA-N,"InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-13-14(12(17)6-9)10(2)15(18)19-13/h4,7,10,12-14,16-17H,3,5-6,8H2,1-2H3/b9-4+,11-7-/t10-,12-,13+,14+/m0/s1",C/C1=C\CC/C(CO)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HKIIPLGMBYVADK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
7894,2027,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,0,7.0
7895,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-UHFFFAOYSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
7896,2027,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7897,2027,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
7898,2027,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-GYRMMRJHSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9?,11+,12?,13?,14-/m1/s1",C=C1C[C@H](O)C2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@H]2C,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
7899,2027,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,0,7.0
7900,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
7901,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
7902,2027,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
7903,2027,-1,,,,0.0,MS1_match,PBXKFMXJVNEHCU-WBSYEDSCSA-N,"InChI=1S/C15H22O4/c1-8-3-4-11-12(8)13-10(9(2)14(17)19-13)5-6-15(11,18)7-16/h9-13,16,18H,1,3-7H2,2H3/t9-,10-,11+,12-,13-,15-/m0/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@@H](C)[C@@H]1CC[C@]2(O)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PBXKFMXJVNEHCU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
7904,2027,-1,,,,0.0,MS1_match,DIFWDYWGFQATQG-UXJUNDEPSA-N,"InChI=1S/C15H22O4/c1-7-6-10(16)13(17)15(3)5-4-9-8(2)14(18)19-12(9)11(7)15/h8-13,16-17H,1,4-6H2,2-3H3/t8-,9-,10-,11+,12-,13+,15+/m0/s1",C=C1C[C@H](O)[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,DIFWDYWGFQATQG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
7905,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
7906,2027,-1,,,,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton1ethylamine,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,0,7.0
7907,2027,-1,,,,0.0,MS1_match,LVABKRFKENTQBT-SYPGZIFDSA-N,"InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15+/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@@](C)(CC[C@@H]12)[C@H](O)CC[C@@]3(C)O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,LVABKRFKENTQBT,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
7908,2027,-1,,,,0.0,MS1_match,SKCZNKOWUHMFNX-BTYLPEKESA-N,"InChI=1S/C17H22O4/c1-8-4-5-11-9(2)6-12(18)14-15(13(8)11)20-16(19)17(14)7-10(3)21-17/h10-15,18H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14-,15-,17+/m1/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@@H]3[C@H](OC(=O)[C@]34C[C@@H](C)O4)[C@@H]12,C17H22O4,pos_1_1proton1ammonium,290.151809184,SKCZNKOWUHMFNX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
7909,2027,-1,,,,0.0,MS1_match,SKCZNKOWUHMFNX-BTYLPEKESA-N,"InChI=1S/C17H22O4/c1-8-4-5-11-9(2)6-12(18)14-15(13(8)11)20-16(19)17(14)7-10(3)21-17/h10-15,18H,1-2,4-7H2,3H3/t10-,11+,12+,13+,14-,15-,17+/m1/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@@H]3[C@H](OC(=O)[C@]34C[C@@H](C)O4)[C@@H]12,C17H22O4,pos_1_1proton1ammonium,290.151809184,SKCZNKOWUHMFNX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus burchardii,404589.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus burchardii'],7,0,7.0
7910,2027,-1,,,,0.0,MS1_match,HJXGUAIRSRWQOH-CXVGIJJFSA-N,"InChI=1S/C15H22O4/c1-7-9-3-4-15(6-18-15)10-5-11(16)8(2)12(10)13(9)19-14(7)17/h7-13,16H,3-6H2,1-2H3/t7-,8+,9+,10+,11-,12-,13-,15-/m0/s1",C[C@H]1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@H]3CC[C@]3(CO3)[C@@H]2C[C@@H]1O,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,HJXGUAIRSRWQOH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
7911,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
7912,2027,-1,,,,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton1ethylamine,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
7913,2027,-1,,,,0.0,MS1_match,PBXKFMXJVNEHCU-YZDFOLFKSA-N,"InChI=1S/C15H22O4/c1-8-3-4-11-12(8)13-10(9(2)14(17)19-13)5-6-15(11,18)7-16/h9-13,16,18H,1,3-7H2,2H3/t9-,10+,11-,12+,13+,15-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)CO,C15H22O4,pos_1_1proton1acetonitrile,266.151809184,PBXKFMXJVNEHCU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
7914,2025,-1,,,,0.0,MS1_match,WTGXAWKVZMQEDA-FYPHCDFOSA-N,"InChI=1S/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3/t9-,10-,11+,12-,14+,15+/m1/s1",COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O,C15H19NO10,pos_1_1proton1methanol,373.100895808,WTGXAWKVZMQEDA,Alkaloids,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
7915,2024,-1,,,,0.6495505,ISDB,MRHRLMTUTXWEQP-WBMJQRKESA-N,"InChI=1S/C18H18O7/c1-23-14-6-9(3-4-13(14)20)16-12(8-19)11-5-10(18(21)22)7-15(24-2)17(11)25-16/h3-7,12,16,19-20H,8H2,1-2H3,(H,21,22)/t12-,16+/m1/s1",COc1cc([C@@H]2Oc3c(OC)cc(C(=O)O)cc3[C@H]2CO)ccc1O,C18H18O7,,346.1052529159999,MRHRLMTUTXWEQP,Shikimates and Phenylpropanoids,Lignans,Neolignans,Isatis quadrialata,490446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis quadrialata'],1,0,3.5982019901275635
7916,2022,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BCKGVLDSIHXXML-XUXIUFHCSA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,7,11-14H,1-3,5-6H2/t11-,12-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C=O)=CC[C@H]3C(=C)CC[C@@H]12,C15H16O3,pos_1_1proton1methanol,244.109944372,BCKGVLDSIHXXML,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,8.5
7917,2022,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BCKGVLDSIHXXML-XUXIUFHCSA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,7,11-14H,1-3,5-6H2/t11-,12-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C=O)=CC[C@H]3C(=C)CC[C@@H]12,C15H16O3,pos_1_1proton1methanol,244.109944372,BCKGVLDSIHXXML,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,8.5
7918,2022,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,pos_1_1proton1methanol,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,8.5
7919,2022,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,BCKGVLDSIHXXML-XUXIUFHCSA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-9(2)15(17)18-14(12)13-10(7-16)4-6-11(8)13/h4,7,11-14H,1-3,5-6H2/t11-,12-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C=O)=CC[C@H]3C(=C)CC[C@@H]12,C15H16O3,pos_1_1proton1methanol,244.109944372,BCKGVLDSIHXXML,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,8.5
7920,2022,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,pos_1_1proton1methanol,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,8.5
7921,2022,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,pos_1_1proton1methanol,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,8.5
7922,2018,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ammonium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
7923,2018,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ammonium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
7924,2016,1504,Shikimates and Phenylpropanoids,Coumarins,Flavones,0.0,MS1_match,KLAOKWJLUQKWIF-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3",COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O,C18H16O7,pos_1_1proton,344.0896028519999,KLAOKWJLUQKWIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],7,3,8.5
7925,2012,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MZQXNUBTVLKMLP-QOEJBJAYSA-N,"InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,C24H28O13,pos_1_1proton1ammonium,524.1529909559998,MZQXNUBTVLKMLP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
7926,2012,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MZQXNUBTVLKMLP-QOEJBJAYSA-N,"InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12,C24H28O13,pos_1_1proton1ammonium,524.1529909559998,MZQXNUBTVLKMLP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
7927,2008,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7956132,ISDB,SFIHQZFZMWZOJV-HZJYTTRNSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,1,4.682452917098999
7928,2008,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7956132,ISDB,SFIHQZFZMWZOJV-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)",CCCCCC=CCC=CCCCCCCCC(N)=O,C18H33NO,,279.256214676,SFIHQZFZMWZOJV,Fatty acids,Fatty amides,Primary amides,Averrhoa bilimbi,829006.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Oxalidales'],['Oxalidaceae'],['Unknown'],['Averrhoa'],['Averrhoa bilimbi'],1,1,4.682452917098999
7929,2007,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
7930,2007,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
7931,2001,130,Terpenoids,Steroids,Ecdysteroids,0.0,MS1_match,KIYBOATYEXVQQC-LJFUCLFESA-N,"InChI=1S/C33H54O10/c1-17(23(35)9-10-30(2,3)40)19-8-13-33(41)21-15-24(36)22-14-18(6-11-31(22,4)20(21)7-12-32(19,33)5)42-29-28(39)27(38)26(37)25(16-34)43-29/h15,17-20,22-23,25-29,34-35,37-41H,6-14,16H2,1-5H3/t17-,18-,19+,20-,22-,23+,25+,26+,27-,28+,29+,31+,32+,33+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C33H54O10,pos_1_1proton,610.371697928,KIYBOATYEXVQQC,Terpenoids,Steroids,Ecdysteroids,Silene brahuica,6037199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene brahuica'],6,3,7.5
7932,2000,-1,,,,0.0,MS1_match,MTFMWINXJJVOSD-GLMCCFPUSA-N,"InChI=1S/C46H77NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h20-22,24-28,30-44,48,51-58H,7-19H2,1-6H3,(H,47,49)/t20-,21+,22-,24-,25-,26+,27-,28-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-/m0/s1",CC(=O)NC[C@@H](C)CCC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C46H77NO17,pos_1_1proton1ammonium,915.519150004,MTFMWINXJJVOSD,Terpenoids,Steroids,Cholestane steroids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0
7933,1999,-1,,,,0.0,MS1_match,YVYUFXNUBVUJMU-RUOXRILLSA-N,"InChI=1S/C21H38O6/c1-11-6-7-15(22)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(25)17(24)16(23)13(3)26-19/h11-19,22-25H,6-10H2,1-5H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,21-/m0/s1",C[C@@H]1[C@@H](O)CC[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H38O6,pos_2MK,386.2668389359999,YVYUFXNUBVUJMU,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,0,7.0
7934,1999,-1,,,,0.0,MS1_match,YVYUFXNUBVUJMU-RUOXRILLSA-N,"InChI=1S/C21H38O6/c1-11-6-7-15(22)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(25)17(24)16(23)13(3)26-19/h11-19,22-25H,6-10H2,1-5H3/t11-,12+,13+,14+,15-,16-,17-,18+,19-,21-/m0/s1",C[C@@H]1[C@@H](O)CC[C@H](C)[C@@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H38O6,pos_2MK,386.2668389359999,YVYUFXNUBVUJMU,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Phonus mareoticus,603445.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus mareoticus'],7,0,7.0
7935,1998,-1,,,,0.0,MS1_match,SQFSKOYWJBQGKQ-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3",COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O)cc1,C16H12O6,pos_1_1proton,300.063388104,SQFSKOYWJBQGKQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Dianthus caryophyllus,842200.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Caryophylleae'],['Dianthus'],['Dianthus caryophyllus'],6,0,6.0
7936,1986,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.37594786,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.003791451454163
7937,1982,895,Amino acids and Peptides,Small peptides,Aminoacids,0.2707902,ISDB,ONAWDGXCZMVYMN-ZETCQYMHSA-N,"InChI=1S/C9H15N3O2S/c1-11(2)7(9(13)14)4-6-8(15)10-5-12(6)3/h5,7,15H,4H2,1-3H3,(H,13,14)/t7-/m0/s1",CN(C)[C@@H](Cc1c(S)ncn1C)C(=O)O,C9H15N3O2S,,229.08849772,ONAWDGXCZMVYMN,Amino acids and Peptides,Small peptides,Aminoacids,Strongylocentrotus purpuratus,564702.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Echinoidea'],['Echinoida'],['Strongylocentrotidae'],['Unknown'],['Strongylocentrotus'],['Strongylocentrotus purpuratus'],2,3,4.583160758018494
7938,1981,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6912838,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,1,9.265135288238525
7939,1981,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6912838,ISDB,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,1,9.265135288238525
7940,1979,-1,,,,0.0,MS1_match,MBDYRJBBFJLZNT-UHFFFAOYSA-N,"InChI=1S/C28H40O9/c1-13-22(32)24(35-5)23(33)25(36-13)37-16-8-9-26(3)15(10-16)6-7-17-20(26)18(30)11-27(4)21(17)19(31)12-28(27,34)14(2)29/h6,13,16-17,20-25,32-34H,7-12H2,1-5H3",COC1C(O)C(C)OC(OC2CCC3(C)C(=CCC4C3C(=O)CC3(C)C4C(=O)CC3(O)C(C)=O)C2)C1O,C28H40O9,pos_1_1proton1methanol,520.26723286,MBDYRJBBFJLZNT,Terpenoids,Steroids,Pregnane steroids,Digitalis canariensis,600608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis canariensis'],6,0,6.0
7941,1979,-1,,,,0.0,MS1_match,MBDYRJBBFJLZNT-UHFFFAOYSA-N,"InChI=1S/C28H40O9/c1-13-22(32)24(35-5)23(33)25(36-13)37-16-8-9-26(3)15(10-16)6-7-17-20(26)18(30)11-27(4)21(17)19(31)12-28(27,34)14(2)29/h6,13,16-17,20-25,32-34H,7-12H2,1-5H3",COC1C(O)C(C)OC(OC2CCC3(C)C(=CCC4C3C(=O)CC3(C)C4C(=O)CC3(O)C(C)=O)C2)C1O,C28H40O9,pos_1_1proton1methanol,520.26723286,MBDYRJBBFJLZNT,Terpenoids,Steroids,Pregnane steroids,Isoplexis canariensis,600608.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis canariensis'],6,0,6.0
7942,1979,-1,,,,0.0,MS1_match,MBDYRJBBFJLZNT-LHDDRJPHSA-N,"InChI=1S/C28H40O9/c1-13-22(32)24(35-5)23(33)25(36-13)37-16-8-9-26(3)15(10-16)6-7-17-20(26)18(30)11-27(4)21(17)19(31)12-28(27,34)14(2)29/h6,13,16-17,20-25,32-34H,7-12H2,1-5H3/t13-,16-,17-,20+,21-,22+,23-,24+,25-,26+,27+,28+/m1/s1",CO[C@H]1[C@@H](O)[C@@H](C)O[C@H](O[C@@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]3C(=O)C[C@@]3(C)[C@H]4C(=O)C[C@]3(O)C(C)=O)C2)[C@@H]1O,C28H40O9,pos_1_1proton1methanol,520.26723286,MBDYRJBBFJLZNT,Terpenoids,Steroids,Pregnane steroids,Digitalis purpurea,75205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis purpurea'],6,0,6.0
7943,1979,-1,,,,0.0,MS1_match,RLUCHTFXSFASGS-DBNBJVBWSA-N,"InChI=1S/C28H40O9/c1-13(29)18-11-20(31)28(34)17-7-6-15-10-16(37-25-23(33)24(35-5)22(32)14(2)36-25)8-9-26(15,3)21(17)19(30)12-27(18,28)4/h6,14,16-18,21-25,32-34H,7-12H2,1-5H3/t14-,16+,17-,18-,21-,22+,23-,24+,25+,26+,27-,28-/m1/s1",CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C(=O)C[C@]3(C)[C@@H](C(C)=O)CC(=O)[C@]43O)C2)[C@@H]1O,C28H40O9,pos_1_1proton1methanol,520.26723286,RLUCHTFXSFASGS,Terpenoids,Steroids,Pregnane steroids,Digitalis purpurea,75205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis purpurea'],6,0,6.0
7944,1978,87,Shikimates and Phenylpropanoids,Lignans,Cinnamic acids and derivatives,0.0,MS1_match,ANCVHDRNDJRUOT-DJEJFTSGSA-N,"InChI=1S/C22H26O9/c1-27-15-5-11(6-16(28-2)20(15)25)19(24)14-10-31-22(13(14)9-23)12-7-17(29-3)21(26)18(8-12)30-4/h5-8,13-14,22-23,25-26H,9-10H2,1-4H3/t13-,14+,22+/m0/s1",COc1cc(C(=O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO)cc(OC)c1O,C22H26O9,pos_1_1proton1ethylamine,434.15768241199993,ANCVHDRNDJRUOT,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,2,7.0
7945,1977,-1,,,,0.47626427,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio odontophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.905057072639465
7946,1977,-1,,,,0.47626427,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio mitophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.905057072639465
7947,1977,-1,,,,0.47626427,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio linifolius,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,7.905057072639465
7948,1972,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.50974303,ISDB,BSDFKVHDDFHAFR-UHFFFAOYSA-N,"InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3",CC1=CC(=O)C23C(C)CCC(CC12)C3(C)C,C15H22O,,218.167065324,BSDFKVHDDFHAFR,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton,929953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Unknown'],6,2,9.03897213935852
7949,1972,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.50974303,ISDB,BSDFKVHDDFHAFR-FJJYHAOUSA-N,"InChI=1S/C15H22O/c1-9-7-13(16)15-10(2)5-6-11(8-12(9)15)14(15,3)4/h7,10-12H,5-6,8H2,1-4H3/t10-,11-,12+,15+/m1/s1",CC1=CC(=O)[C@]23[C@H](C)CC[C@H](C[C@@H]12)C3(C)C,C15H22O,,218.167065324,BSDFKVHDDFHAFR,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton arboreus,765997.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton arboreus'],6,2,9.03897213935852
7950,1971,-1,,,,0.0,MS1_match,HCNLDGTUMBOHKT-NRFANRHFSA-N,"InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1",CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,HCNLDGTUMBOHKT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga conifera,103732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga conifera'],6,0,6.0
7951,1971,-1,,,,0.0,MS1_match,HCNLDGTUMBOHKT-NRFANRHFSA-N,"InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1",CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,HCNLDGTUMBOHKT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga conifera,103732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga conifera'],6,0,6.0
7952,1971,-1,,,,0.0,MS1_match,BMIMEYWWZBBDCM-QHCPKHFHSA-N,"InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)23-13-22(29)24-21(28)12-20(27)18(25(24)30-23)9-6-15(3)4/h5-6,8,10-12,23,26-28H,7,9,13H2,1-4H3/t23-/m0/s1",CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.1936739959999,BMIMEYWWZBBDCM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7953,1971,-1,,,,0.0,MS1_match,BMIMEYWWZBBDCM-QHCPKHFHSA-N,"InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)23-13-22(29)24-21(28)12-20(27)18(25(24)30-23)9-6-15(3)4/h5-6,8,10-12,23,26-28H,7,9,13H2,1-4H3/t23-/m0/s1",CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.1936739959999,BMIMEYWWZBBDCM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7954,1971,-1,,,,0.0,MS1_match,WNEAAJKGMLICIY-QFIPXVFZSA-N,"InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-12,22,26-27,29H,7,9,13H2,1-4H3/t22-/m0/s1",CC(C)=CCc1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.1936739959999,WNEAAJKGMLICIY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7955,1971,-1,,,,0.0,MS1_match,QEXZVESBFWVISP-YLLUOSTHSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-13,23,26-28H,4,6,8,14H2,1-3H3/b16-7+/t23-/m0/s1",CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.193673996,QEXZVESBFWVISP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7956,1971,-1,,,,0.0,MS1_match,QEXZVESBFWVISP-YLLUOSTHSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-13,23,26-28H,4,6,8,14H2,1-3H3/b16-7+/t23-/m0/s1",CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.193673996,QEXZVESBFWVISP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7957,1971,-1,,,,0.0,MS1_match,XYIQIBWIEGCVQY-QFIPXVFZSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/t22-/m0/s1",CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.193673996,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga alnifolia,864424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga alnifolia'],6,0,6.0
7958,1971,-1,,,,0.0,MS1_match,XYIQIBWIEGCVQY-RWHUQTJRSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1",CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7959,1971,-1,,,,0.0,MS1_match,XYIQIBWIEGCVQY-QFIPXVFZSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/t22-/m0/s1",CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.193673996,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga alnifolia,864424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga alnifolia'],6,0,6.0
7960,1971,-1,,,,0.0,MS1_match,XYIQIBWIEGCVQY-RWHUQTJRSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1",CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7961,1971,-1,,,,0.0,MS1_match,HHFGXBZQVLHYPI-RLEHGPGXSA-N,"InChI=1S/C25H28O5/c1-13(2)16-7-6-15(4)25-18(11-16)14(3)10-20(25)28-23-19(27-5)12-17-8-9-21(26)29-22(17)24(23)30-25/h8-9,12,15-16,20H,1,6-7,10-11H2,2-5H3/t15-,16-,20-,25+/m0/s1",C=C(C)[C@H]1CC[C@H](C)[C@]23Oc4c(c(OC)cc5ccc(=O)oc45)O[C@H]2CC(C)=C3C1,C25H28O5,pos_1_1proton1dmso,408.193673996,HHFGXBZQVLHYPI,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha integerrima,607939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha integerrima'],6,0,6.0
7962,1971,-1,,,,0.0,MS1_match,BYNSAEDEZFVSHZ-MVLVPLOLSA-N,"InChI=1S/C25H28O5/c1-15(2)6-4-5-7-16(3)10-18-11-17(8-9-20(18)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h6,8-13,23,26-28H,4-5,7,14H2,1-3H3/b16-10+/t23-/m0/s1",CC(C)=CCCC/C(C)=C/c1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.193673996,BYNSAEDEZFVSHZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,0,6.0
7963,1970,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MK,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Cichorium intybus,692350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Cichorium'],['Cichorium intybus'],6,0,6.0
7964,1970,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MK,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],6,0,6.0
7965,1970,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MK,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
7966,1970,-1,,,,0.0,MS1_match,UZKQTCBAMSWPJD-FARCUNLSSA-N,"InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+",C/C(=C\CNc1nc[nH]c2ncnc1-2)CO,C10H13N5O,pos_2MK,219.112010036,UZKQTCBAMSWPJD,Alkaloids,Pseudoalkaloids,Purine alkaloids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],6,0,6.0
7967,1970,-1,,,,0.0,MS1_match,HKQLOIUOHKPLBC-MNONAGEKSA-N,"InChI=1S/C24H32O7/c1-11(2)8-18(26)29-15-9-17(25)24(7)10-16-19(14(6)23(28)30-16)21(20(24)13(15)5)31-22(27)12(3)4/h11,15-17,19,21,25H,3,6,8-10H2,1-2,4-5,7H3/t15-,16-,17-,19-,21-,24+/m1/s1",C=C(C)C(=O)O[C@H]1C2=C(C)[C@H](OC(=O)CC(C)C)C[C@@H](O)[C@]2(C)C[C@H]2OC(=O)C(=C)[C@H]21,C24H32O7,pos_1_minus1proton2sodium,432.214803364,HKQLOIUOHKPLBC,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Wedelia hookeriana,7606224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia hookeriana'],6,0,6.0
7968,1970,-1,,,,0.0,MS1_match,UGYZWRRXLCDUFR-UOIUKYRCSA-N,"InChI=1S/C24H32O7/c1-8-12(4)22(27)29-15-9-17(25)24(7)10-16-18(14(6)23(28)30-16)20(19(24)13(15)5)31-21(26)11(2)3/h12,15-18,20,25H,2,6,8-10H2,1,3-5,7H3/t12-,15-,16-,17-,18-,20-,24+/m1/s1",C=C(C)C(=O)O[C@H]1C2=C(C)[C@H](OC(=O)[C@H](C)CC)C[C@@H](O)[C@]2(C)C[C@H]2OC(=O)C(=C)[C@H]21,C24H32O7,pos_1_minus1proton2sodium,432.214803364,UGYZWRRXLCDUFR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Wedelia hookeriana,7606224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia hookeriana'],6,0,6.0
7969,1970,-1,,,,0.0,MS1_match,DKDZAXYDXAEVQH-RKKXOHMHSA-N,"InChI=1S/C24H32O7/c1-13(2)21(26)29-18-10-14(3)16-11-17(15-7-9-28-12-15)30-22(27)24(16)19(31-24)6-8-23(4,5)20(18)25/h7,9,12-14,16-19H,6,8,10-11H2,1-5H3/t14-,16+,17-,18+,19-,24+/m1/s1",CC(C)C(=O)O[C@H]1C[C@@H](C)[C@@H]2C[C@H](c3ccoc3)OC(=O)[C@]23O[C@@H]3CCC(C)(C)C1=O,C24H32O7,pos_1_minus1proton2sodium,432.2148033639999,DKDZAXYDXAEVQH,Terpenoids,Diterpenoids,Norlabdane diterpenoids,Nidorella hottentotica,7598370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella hottentotica'],6,0,6.0
7970,1970,-1,,,,0.0,MS1_match,UZBIFMGSFADDBQ-OWFSXVMESA-N,"InChI=1S/C24H32O7/c1-11(2)8-16(26)30-20-15(25)9-14(6)24(7)18(20)19(27)21-17(13(5)10-29-21)22(24)31-23(28)12(3)4/h8,10,12,14-15,18,20,22,25H,9H2,1-7H3/t14-,15+,18+,20-,22+,24+/m0/s1",CC(C)=CC(=O)O[C@H]1[C@H](O)C[C@H](C)[C@@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@H]12,C24H32O7,pos_1_minus1proton2sodium,432.214803364,UZBIFMGSFADDBQ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio panduriformis,166302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio panduriformis'],6,0,6.0
7971,1970,-1,,,,0.0,MS1_match,FQWWVFXVGRJJTK-YWNZELEWSA-N,"InChI=1S/C24H32O7/c1-7-13(4)23(28)31-20-18-14(5)11-29-17(18)10-15-8-9-16(30-22(27)12(2)3)19(21(25)26)24(15,20)6/h7,11-12,15-16,19-20H,8-10H2,1-6H3,(H,25,26)/b13-7+/t15-,16+,19-,20-,24+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C(C)C)[C@H](C(=O)O)[C@]21C,C24H32O7,pos_1_minus1proton2sodium,432.2148033639999,FQWWVFXVGRJJTK,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Othonna arborescens,7051760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Othonna'],['Othonna arborescens'],6,0,6.0
7972,1970,-1,,,,0.0,MS1_match,ILHBQKPGVIRPLA-PCNNIPIJSA-N,"InChI=1S/C24H32O7/c1-7-12(2)21(27)31-19-16-10-24-15(8-9-18(24)23(16,5)6)22(30-14(4)26)28-11-17(24)20(19)29-13(3)25/h7,11,15-16,18-20,22H,8-10H2,1-6H3/b12-7-/t15-,16+,18+,19+,20+,22-,24+/m0/s1",C/C=C(/C)C(=O)O[C@H]1[C@H](OC(C)=O)C2=CO[C@@H](OC(C)=O)[C@@H]3CC[C@@H]4C(C)(C)[C@@H]1C[C@@]243,C24H32O7,pos_1_minus1proton2sodium,432.214803364,ILHBQKPGVIRPLA,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Perezia multiflora,435495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Perezia'],['Perezia multiflora'],6,0,6.0
7973,1970,-1,,,,0.0,MS1_match,MDYWSHZLWAQVIX-WYEZNEIISA-N,"InChI=1S/C24H32O7/c1-8-12(4)22(27)31-20-18-14(6)23(28)30-16(18)10-24(7)17(25)9-15(13(5)19(20)24)29-21(26)11(2)3/h8,11,15-18,20,25H,6,9-10H2,1-5,7H3/b12-8+/t15-,16+,17-,18+,20-,24+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)C(=C(C)[C@@H](OC(=O)C(C)C)C[C@@H]3O)[C@@H](OC(=O)/C(C)=C/C)[C@H]12,C24H32O7,pos_1_minus1proton2sodium,432.214803364,MDYWSHZLWAQVIX,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Aspilia foliosa,7604821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Aspilia'],['Aspilia foliosa'],6,0,6.0
7974,1970,-1,,,,0.0,MS1_match,VZLHZNIVEXBYGF-UHFFFAOYSA-N,"InChI=1S/C24H32O7/c1-19(15-26)7-4-9-23(17-30-20(2)28)11-6-12-24(18-31-21(3)29)10-5-8-22(16-27)13-14-25/h7,10-11,13-16H,4-6,8-9,12,17-18H2,1-3H3",CC(=O)OCC(=CCCC(C=O)=CC=O)CCC=C(CCC=C(C)C=O)COC(C)=O,C24H32O7,pos_1_minus1proton2sodium,432.214803364,VZLHZNIVEXBYGF,Terpenoids,Diterpenoids,Phytane diterpenoids,Mikania periplocifolia,7604097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania periplocifolia'],6,0,6.0
7975,1970,-1,,,,0.0,MS1_match,YZZJJGRASNXMNN-QLCLTIAVSA-N,"InChI=1S/C24H32O7/c1-16-7-11-24(15-30-17(2)25)19(23(16,3)10-8-18-9-12-29-14-18)5-4-6-20(24)31-22(28)13-21(26)27/h6,9,12,14,16,19H,4-5,7-8,10-11,13,15H2,1-3H3,(H,26,27)/t16-,19-,23+,24+/m1/s1",CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2OC(=O)CC(=O)O,C24H32O7,pos_1_minus1proton2sodium,432.214803364,YZZJJGRASNXMNN,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis santelicis,5794721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis santelicis'],6,0,6.0
7976,1970,-1,,,,0.0,MS1_match,SABUZQXEYDMEFA-SNXUAGBVSA-N,"InChI=1S/C24H32O7/c1-7-13(4)23(28)30-16-9-8-15-10-17-18(14(5)11-29-17)20(31-22(27)12(2)3)24(15,6)19(16)21(25)26/h7,11-12,15-16,19-20H,8-10H2,1-6H3,(H,25,26)/b13-7-/t15-,16+,19-,20-,24+/m1/s1",C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C(=O)O,C24H32O7,pos_1_minus1proton2sodium,432.214803364,SABUZQXEYDMEFA,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Hertia pallens,259951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Hertia'],['Hertia pallens'],6,0,6.0
7977,1970,-1,,,,0.0,MS1_match,QBBBYGQGNJHPPR-IGHJNXSSSA-N,"InChI=1S/C24H32O7/c1-6-12(2)19(26)30-18-17-14(4)15-9-22(11-25)20(27)29-16-8-7-13(3)21(18,5)23(16,28)10-24(17,22)31-15/h6,13,15-16,18,25,28H,7-11H2,1-5H3/b12-6-/t13-,15+,16-,18+,21-,22+,23+,24+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1C2=C(C)[C@H]3C[C@@]4(CO)C(=O)O[C@H]5CC[C@H](C)[C@]1(C)[C@@]5(O)C[C@@]24O3,C24H32O7,pos_1_minus1proton2sodium,432.214803364,QBBBYGQGNJHPPR,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia sagitta,1010113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia sagitta'],6,0,6.0
7978,1970,-1,,,,0.0,MS1_match,RVUJVHDHQZMWHT-UHFFFAOYSA-N,"InChI=1S/C24H32O7/c1-7-16(5)22(26)28-12-18-9-10-19(20(11-18)31-23(27)17(6)8-2)24(14-30-24)13-29-21(25)15(3)4/h8-11,15-16H,7,12-14H2,1-6H3",CC=C(C)C(=O)Oc1cc(COC(=O)C(C)CC)ccc1C1(COC(=O)C(C)C)CO1,C24H32O7,pos_1_minus1proton2sodium,432.214803364,RVUJVHDHQZMWHT,Polyketides,,,Vieraea laevigata,999365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Vieraea'],['Vieraea laevigata'],6,0,6.0
7979,1969,-1,,,,0.0,MS1_match,DBVVQDGIJAUEAZ-UHFFFAOYSA-N,"InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)",CC(CO)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C15H23N5O5,pos_1_1proton1acetonitrile,353.169918836,DBVVQDGIJAUEAZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
7980,1967,343,Terpenoids,Diterpenoids,Lathyrane diterpenoids,0.0,MS1_match,ARUXHDLPKVRONO-OQMOLIDASA-N,"InChI=1S/C33H40O9/c1-18-15-26-25(32(26,6)7)14-13-24(17-39-20(3)34)29(40-21(4)35)27-28(41-31(38)23-11-9-8-10-12-23)19(2)16-33(27,30(18)37)42-22(5)36/h8-13,15,19,25-29H,14,16-17H2,1-7H3/b18-15+,24-13-/t19-,25-,26+,27+,28-,29-,33+/m0/s1",CC(=O)OC/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C33H40O9,pos_1_1proton,580.2672328599998,ARUXHDLPKVRONO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,3,8.5
7981,1967,343,Terpenoids,Diterpenoids,Lathyrane diterpenoids,0.0,MS1_match,PTSHQWKMFOMIER-MIVDMJLNSA-N,"InChI=1S/C33H40O9/c1-17-14-24-25(32(24,7)8)15-26(39-20(4)34)19(3)29(40-21(5)35)27-28(41-31(38)23-12-10-9-11-13-23)18(2)16-33(27,30(17)37)42-22(6)36/h9-14,18,24-29H,3,15-16H2,1-2,4-8H3/b17-14+/t18-,24+,25-,26-,27+,28-,29-,33+/m0/s1",C=C1[C@@H](OC(C)=O)C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C33H40O9,pos_1_1proton,580.26723286,PTSHQWKMFOMIER,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,3,8.5
7982,1966,839,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_2MFe,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
7983,1966,839,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,0.0,MS1_match,MHXCIKYXNYCMHY-AUSJPIAWSA-N,"InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1",COc1cc(C[C@H]2CO[C@H](c3ccc(O)c(OC)c3)[C@H]2CO)ccc1O,C20H24O6,pos_2MFe,360.157288488,MHXCIKYXNYCMHY,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
7984,1965,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,IZWXWZBLJVFVIF-GQANSBOFSA-N,"InChI=1S/C21H24O5/c1-3-25-10-4-5-14-6-9-19-16(11-14)17(13-22)21(26-19)15-7-8-18(23)20(12-15)24-2/h4-9,11-12,17,21-23H,3,10,13H2,1-2H3/b5-4+/t17-,21+/m0/s1",CCOC/C=C/c1ccc2c(c1)[C@H](CO)[C@@H](c1ccc(O)c(OC)c1)O2,C21H24O5,pos_2MMg,356.1623738679999,IZWXWZBLJVFVIF,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
7985,1964,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Gossypium barbadense,854476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium barbadense'],6,3,7.5
7986,1964,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,3,7.5
7987,1964,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malvaviscus arboreus,108599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malvaviscus'],['Malvaviscus arboreus'],6,3,7.5
7988,1964,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,3,7.5
7989,1964,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QZZGJDVWLFXDLK-UHFFFAOYSA-N,"InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)",CCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C24H48O2,pos_2_2proton2acetonitrile,368.3654307759999,QZZGJDVWLFXDLK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Guazuma ulmifolia,526994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Guazuma'],['Guazuma ulmifolia'],6,3,7.5
7990,1963,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JKMCYAOEYROQRV-MLJWBVARSA-N,"InChI=1S/C38H60O11/c1-33(2)14-15-38(32(46)47-19-27(41)42)21(16-33)20-8-9-24-35(5)12-11-26(49-31-30(45)29(44)28(43)22(18-39)48-31)34(3,4)23(35)10-13-36(24,6)37(20,7)17-25(38)40/h8,21-26,28-31,39-40,43-45H,9-19H2,1-7H3,(H,41,42)/t21-,22+,23-,24+,25+,26-,28+,29-,30+,31-,35-,36+,37+,38+/m0/s1",CC1(C)CC[C@]2(C(=O)OCC(=O)O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C38H60O11,pos_2_1proton1potassium,692.41356274,JKMCYAOEYROQRV,Terpenoids,Triterpenoids,Oleanane triterpenoids,Aster auriculatus,83905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster auriculatus'],6,1,6.5
7991,1962,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.54621637,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,9.684865474700928
7992,1962,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.54621637,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,3,9.684865474700928
7993,1962,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.54621637,ISDB,BXWMZVREXWPYKF-UHFFFAOYSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3",COc1ccc2c(c1O)C(Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,3,9.684865474700928
7994,1962,147,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.54621637,ISDB,BXWMZVREXWPYKF-AWEZNQCLSA-N,"InChI=1S/C17H19NO3/c1-21-15-7-4-12-8-9-18-14(16(12)17(15)20)10-11-2-5-13(19)6-3-11/h2-7,14,18-20H,8-10H2,1H3/t14-/m0/s1",COc1ccc2c(c1O)[C@H](Cc1ccc(O)cc1)NCC2,C17H19NO3,,285.136493468,BXWMZVREXWPYKF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis balansae,6130292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis balansae'],6,3,9.684865474700928
7995,1960,-1,,,,0.0,MS1_match,FIAAVMJLAGNUKW-VQVVXJKKSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1sodium,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7996,1960,-1,,,,0.0,MS1_match,USNPULRDBDVJAO-CJMRGEILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19+,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O,C27H31O15+,pos_1_1sodium,595.1657467120899,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
7997,1959,-1,,,,0.72721535,ISDB,TUCMDDWTBVMRTP-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3",CCC=CCC=CCC=CCCCCCCCC=O,C18H30O,,262.22966558,TUCMDDWTBVMRTP,Fatty acids,Fatty acyls,Fatty aldehydes,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],0,0,2.9088613986968994
7998,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Antirrhinum majus,596457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Antirrhinum'],['Antirrhinum majus'],6,3,7.5
7999,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,3,7.5
8000,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria simplex,256163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria simplex'],6,3,7.5
8001,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Kickxia commutata,6072506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Kickxia'],['Kickxia commutata'],6,3,7.5
8002,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Kickxia elatine,300879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Kickxia'],['Kickxia elatine'],6,3,7.5
8003,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria flava,807453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria flava'],6,3,7.5
8004,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria arcusangeli,6072536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria arcusangeli'],6,3,7.5
8005,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria pelisseriana,4724905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria pelisseriana'],6,3,7.5
8006,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria vulgaris,989669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria vulgaris'],6,3,7.5
8007,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria genistifolia,116263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria genistifolia'],6,3,7.5
8008,1957,732,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cymbalaria muralis,75202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Cymbalaria'],['Cymbalaria muralis'],6,3,7.5
8009,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-UHFFFAOYSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3",C=CCc1ccc(OC2OC(CO)C(O)C(O)C2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Carpesium macrocephalum,20454.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Carpesium'],['Carpesium macrocephalum'],6,3,7.5
8010,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Conyza bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],6,3,7.5
8011,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Erigeron bonariensis,747355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza bonariensis'],6,3,7.5
8012,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brickellia veronicaefolia,7602955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia veronicaefolia'],6,3,7.5
8013,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aster koraiensis,1009959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster koraiensis'],6,3,7.5
8014,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picris conyzoides,7052396.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Picris'],['Picris conyzoides'],6,3,7.5
8015,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],6,3,7.5
8016,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Pluchea indica,446140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea indica'],6,3,7.5
8017,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picris hieracioides,977940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Picris'],['Picris hieracioides'],6,3,7.5
8018,1956,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VADSVXSGIFBZLI-IBEHDNSVSA-N,"InChI=1S/C16H22O7/c1-3-4-9-5-6-10(11(7-9)21-2)22-16-15(20)14(19)13(18)12(8-17)23-16/h3,5-7,12-20H,1,4,8H2,2H3/t12-,13-,14+,15-,16-/m1/s1",C=CCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1,C16H22O7,pos_1_1proton1ammonium,326.1365530439999,VADSVXSGIFBZLI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eupatorium glehnii,7603299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eupatorium'],['Eupatorium glehnii'],6,3,7.5
8019,1955,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.7832549,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lavandula latifolia,355951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula latifolia'],5,0,8.13301968574524
8020,1955,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.7832549,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lavandula angustifolia,880708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula angustifolia'],5,0,8.13301968574524
8021,1955,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.7832549,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Salvia aegyptiaca,626525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia aegyptiaca'],5,0,8.13301968574524
8022,1954,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-YRIDSSQKSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C21H18O11,pos_1_1proton1methanol,446.08491139599977,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,0,8.0
8023,1954,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-YRIDSSQKSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C21H18O11,pos_1_1proton1methanol,446.08491139599977,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,0,8.0
8024,1954,-1,,,,0.0,MS1_match,DMXHXBGUNHLMQO-IWLDQSELSA-N,"InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,C22H22O12,pos_1_1proton,478.111126144,DMXHXBGUNHLMQO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],8,0,8.0
8025,1954,-1,,,,0.0,MS1_match,DMXHXBGUNHLMQO-IWLDQSELSA-N,"InChI=1S/C22H22O12/c1-31-21-14(33-22-20(30)19(29)17(27)15(7-23)34-22)6-13-16(18(21)28)11(26)5-12(32-13)8-2-3-9(24)10(25)4-8/h2-6,15,17,19-20,22-25,27-30H,7H2,1H3/t15-,17-,19+,20-,22-/m1/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,C22H22O12,pos_1_1proton,478.111126144,DMXHXBGUNHLMQO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],8,0,8.0
8026,1951,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,FJKROLUGYXJWQN-UHFFFAOYSA-N,"InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)",O=C(O)c1ccc(O)cc1,C7H6O3,pos_1_1proton1isopropanol,138.031694052,FJKROLUGYXJWQN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,3,9.5
8027,1949,-1,,,,0.36280683,ISDB,DXHNHQIKLTZOQX-UHFFFAOYSA-N,"InChI=1S/C9H15NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h9H,1-7H2",C=C(CC1CCCCC1)[N+](=O)[O-],C9H15NO2,,169.11027872,DXHNHQIKLTZOQX,,,,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],1,0,2.451227307319641
8028,1948,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.28870293,ISDB,,,,,,,VWPQCOZMXULHDM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1548117399215698
8029,1947,1070,Terpenoids,Sesquiterpenoids,4-pyrone derivatives,0.0,MS1_match,MIXZBJKEASCNST-UHFFFAOYSA-N,"InChI=1S/C20H34O3/c1-5-6-7-8-9-10-11-12-13-14-15-18-16(2)19(21)17(3)20(22-4)23-18/h5-15H2,1-4H3",CCCCCCCCCCCCc1oc(OC)c(C)c(=O)c1C,C20H34O3,pos_3_1proton2sodium,322.250794948,MIXZBJKEASCNST,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],6,3,7.5
8030,1947,1070,Terpenoids,Sesquiterpenoids,4-pyrone derivatives,0.0,MS1_match,JWWFBLSDRQEKIB-UHFFFAOYSA-N,"InChI=1S/C20H34O3/c1-5-7-8-9-10-11-12-13-14-15-18-16(3)19(21)17(6-2)20(22-4)23-18/h5-15H2,1-4H3",CCCCCCCCCCCc1oc(OC)c(CC)c(=O)c1C,C20H34O3,pos_3_1proton2sodium,322.250794948,JWWFBLSDRQEKIB,Polyketides,Cyclic polyketides,4-pyrone derivatives,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],6,3,7.5
8031,1944,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.58255935,ISDB,MHUYBIUXLMLCJM-BREBYQMCSA-N,"InChI=1S/C13H20O/c1-9-10(14)8-11-12(2,3)6-5-7-13(9,11)4/h5,7-10,14H,6H2,1-4H3/t9-,10-,13+/m1/s1",C[C@@H]1[C@H](O)C=C2C(C)(C)CC=C[C@]21C,C13H20O,,192.15141526,MHUYBIUXLMLCJM,Terpenoids,Sesquiterpenoids,,Cydonia oblonga,941743.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Cydonia'],['Cydonia oblonga'],1,2,4.33023738861084
8032,1943,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7492677,ISDB,VLXDPFLIRFYIME-GZBLMMOJSA-N,"InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13+,14-,15-/m1/s1",CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13,C15H24,,204.187800768,VLXDPFLIRFYIME,Terpenoids,Sesquiterpenoids,Copaane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,12.997070789337158
8033,1941,218,Amino acids and Peptides,Small peptides,Aminoacids,0.7063726,ISDB,YGPSJZOEDVAXAB-QMMMGPOBSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",Nc1ccccc1C(=O)C[C@H](N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Daphnia pulex,59086.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Branchiopoda'],['Diplostraca'],['Daphniidae'],['Unknown'],['Daphnia'],['Daphnia pulex'],2,3,6.325490474700928
8034,1941,218,Amino acids and Peptides,Small peptides,Aminoacids,0.7063726,ISDB,YGPSJZOEDVAXAB-QMMMGPOBSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",Nc1ccccc1C(=O)C[C@H](N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Bombyx mori,440274.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Bombycidae'],['Unknown'],['Bombyx'],['Bombyx mori'],2,3,6.325490474700928
8035,1941,218,Amino acids and Peptides,Small peptides,Aminoacids,0.7063726,ISDB,YGPSJZOEDVAXAB-QMMMGPOBSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",Nc1ccccc1C(=O)C[C@H](N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.325490474700928
8036,1941,218,Amino acids and Peptides,Small peptides,Aminoacids,0.7063726,ISDB,YGPSJZOEDVAXAB-UHFFFAOYSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)",Nc1ccccc1C(=O)CC(N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],2,3,6.325490474700928
8037,1941,218,Amino acids and Peptides,Small peptides,Aminoacids,0.7063726,ISDB,YGPSJZOEDVAXAB-QMMMGPOBSA-N,"InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1",Nc1ccccc1C(=O)C[C@H](N)C(=O)O,C10H12N2O3,,208.084792244,YGPSJZOEDVAXAB,Amino acids and Peptides,Small peptides,Aminoacids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.325490474700928
8038,1940,258,Amino acids and Peptides,Small peptides,Dipeptides,0.5751813,ISDB,CAKBEMYCCHKGSU-RYUDHWBXSA-N,"InChI=1S/C15H21N5O2/c16-15(17)18-8-4-7-11-13(21)20-12(14(22)19-11)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,19,22)(H,20,21)(H4,16,17,18)/t11-,12-/m0/s1",N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC1=O,C15H21N5O2,,303.169524912,CAKBEMYCCHKGSU,Amino acids and Peptides,Small peptides,Dipeptides,Streptomyces nigra,5883224.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Streptomyces nigra'],0,3,3.800725221633911
8039,1939,-1,,,,0.33926964,ISDB,NPKYNQPMKHIDCY-WQKHGGJESA-N,"InChI=1S/C15H16O6/c1-3-4-6-15(2)7-5-9(21-15)12-13(18)10(8-11(16)17)20-14(12)19/h5,7-8H,3-4,6H2,1-2H3,(H,16,17)/b10-8-,12-9-/t15-/m1/s1",CCCC[C@]1(C)C=C/C(=C2/C(=O)O/C(=C\C(=O)O)C2=O)O1,C15H16O6,,292.094688232,NPKYNQPMKHIDCY,Polyketides,Cyclic polyketides,Phthalide derivatives,Penicillium italicum,6232.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium italicum'],1,0,2.3570785522460938
8040,1938,-1,,,,0.5961348,ISDB,ICPVLSLEEGBAQF-NSHDSACASA-N,"InChI=1S/C16H18O4/c1-8(2)11-6-10-13(17-4)12-9(3)7-19-15(12)16(18-5)14(10)20-11/h7,11H,1,6H2,2-5H3/t11-/m0/s1",C=C(C)[C@@H]1Cc2c(c(OC)c3occ(C)c3c2OC)O1,C16H18O4,,274.120509056,ICPVLSLEEGBAQF,,,,Cyperus teneriffae,6020386.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Unknown'],['Unknown'],['Cyperus teneriffae'],5,0,7.3845391273498535
8041,1937,-1,,,,0.0,MS1_match,IMQVWZKEFSFWCH-DYWIKMQHSA-N,"InChI=1S/C30H40O7/c1-9-15(3)26(33)36-14-28(8)21-12-19(7)29-13-18(6)25(37-27(34)16(4)10-2)30(29,35)23(31)17(5)11-20(22(21)28)24(29)32/h9-11,13,19-23,25,31,35H,12,14H2,1-8H3/b15-9-,16-10-/t19-,20+,21-,22+,23-,25+,28-,29+,30+/m1/s1",C/C=C(/C)C(=O)OC[C@@]1(C)[C@H]2[C@@H]3C=C(C)[C@@H](O)[C@]4(O)[C@@H](OC(=O)/C(C)=C\C)C(C)=C[C@@]4(C3=O)[C@H](C)C[C@H]21,C30H40O7,pos_1_1proton1ethylamine,512.27740362,IMQVWZKEFSFWCH,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
8042,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-OYDNDYNYSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13-/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCCCC/C=C/C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
8043,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-OYDNDYNYSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13-/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCCCC/C=C/C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia rigida,535724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia rigida'],7,0,7.0
8044,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-UHFFFAOYSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3",CCCCCC=CC=CC(=O)OC1C(C)=CC23C(=O)C(C=C(COC(C)=O)C(O)C12O)C1C(CC3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia broteri,452103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oxyphylla'],7,0,7.0
8045,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-QOIHGNKFSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13-/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1",CCCCC/C=C/C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.3087037479999,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia oxyphylla,452103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oxyphylla'],7,0,7.0
8046,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-IFEMBOOLSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1",CCCCC/C=C\C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.3087037479999,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
8047,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-SKAVGKCCSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11?,14-13+",CCCCCC=C/C=C/C(=O)OC1C(C)=CC23C(=O)C(C=C(COC(C)=O)C(O)C12O)C1C(CC3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
8048,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-OYDNDYNYSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13-/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCCCC/C=C/C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
8049,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-OYDNDYNYSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13-/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCCCC/C=C/C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia rigida,535724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia rigida'],7,0,7.0
8050,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-UHFFFAOYSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3",CCCCCC=CC=CC(=O)OC1C(C)=CC23C(=O)C(C=C(COC(C)=O)C(O)C12O)C1C(CC3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia broteri,452103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oxyphylla'],7,0,7.0
8051,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-QOIHGNKFSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11+,14-13-/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1",CCCCC/C=C/C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.3087037479999,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia oxyphylla,452103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia oxyphylla'],7,0,7.0
8052,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-IFEMBOOLSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m1/s1",CCCCC/C=C\C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.3087037479999,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
8053,1937,-1,,,,0.0,MS1_match,SYXKKJDQNXPUSI-SKAVGKCCSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11?,14-13+",CCCCCC=C/C=C/C(=O)OC1C(C)=CC23C(=O)C(C=C(COC(C)=O)C(O)C12O)C1C(CC3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,SYXKKJDQNXPUSI,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
8054,1937,-1,,,,0.0,MS1_match,JSMFPZQTMCUHQU-KYAGLTEYSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(27(19,3)4)24(35-7)29(28,6)26(30)34/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m1/s1",CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(C)=O)[C@H](C)C[C@]4(OC(=O)c4ccccc4)C(=O)[C@@]13C)C2(C)C,C30H40O7,pos_1_1proton1ethylamine,512.27740362,JSMFPZQTMCUHQU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia villosa,731893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia villosa'],7,0,7.0
8055,1937,-1,,,,0.0,MS1_match,JSMFPZQTMCUHQU-KYAGLTEYSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(27(19,3)4)24(35-7)29(28,6)26(30)34/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m1/s1",CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(C)=O)[C@H](C)C[C@]4(OC(=O)c4ccccc4)C(=O)[C@@]13C)C2(C)C,C30H40O7,pos_1_1proton1ethylamine,512.27740362,JSMFPZQTMCUHQU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia epithymoides,74837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia epithymoides'],7,0,7.0
8056,1937,-1,,,,0.0,MS1_match,JSMFPZQTMCUHQU-KYAGLTEYSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(27(19,3)4)24(35-7)29(28,6)26(30)34/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m1/s1",CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(C)=O)[C@H](C)C[C@]4(OC(=O)c4ccccc4)C(=O)[C@@]13C)C2(C)C,C30H40O7,pos_1_1proton1ethylamine,512.27740362,JSMFPZQTMCUHQU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia illirica,978152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia illirica'],7,0,7.0
8057,1937,-1,,,,0.0,MS1_match,QZVBUOLOLHSACA-BIFCHGJCSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(29(28,6)26(30)34)24(35-7)27(19,3)4/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m0/s1",CO[C@H]1[C@H]2[C@@H](CC[C@]3(C)[C@@H](O)[C@@H]4[C@H](OC(C)=O)[C@@H](C)C[C@@]4(OC(=O)c4ccccc4)C(=O)[C@]23C)C1(C)C,C30H40O7,pos_1_1proton1ethylamine,512.27740362,QZVBUOLOLHSACA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia villosa,731893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia villosa'],7,0,7.0
8058,1937,-1,,,,0.0,MS1_match,QZVBUOLOLHSACA-BIFCHGJCSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(29(28,6)26(30)34)24(35-7)27(19,3)4/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m0/s1",CO[C@H]1[C@H]2[C@@H](CC[C@]3(C)[C@@H](O)[C@@H]4[C@H](OC(C)=O)[C@@H](C)C[C@@]4(OC(=O)c4ccccc4)C(=O)[C@]23C)C1(C)C,C30H40O7,pos_1_1proton1ethylamine,512.27740362,QZVBUOLOLHSACA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia epithymoides,74837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia epithymoides'],7,0,7.0
8059,1937,-1,,,,0.0,MS1_match,QZVBUOLOLHSACA-BIFCHGJCSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(29(28,6)26(30)34)24(35-7)27(19,3)4/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m0/s1",CO[C@H]1[C@H]2[C@@H](CC[C@]3(C)[C@@H](O)[C@@H]4[C@H](OC(C)=O)[C@@H](C)C[C@@]4(OC(=O)c4ccccc4)C(=O)[C@]23C)C1(C)C,C30H40O7,pos_1_1proton1ethylamine,512.27740362,QZVBUOLOLHSACA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia illirica,978152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia illirica'],7,0,7.0
8060,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-MGZHOKCZSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.2774036199999,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,0,7.0
8061,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Pedilanthus,7635211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Pedilanthus'],['Unknown'],7,0,7.0
8062,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
8063,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-GTBZSHDQSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
8064,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-MGZHOKCZSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.2774036199999,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,0,7.0
8065,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Pedilanthus,7635211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Pedilanthus'],['Unknown'],7,0,7.0
8066,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
8067,1937,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-GTBZSHDQSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1proton1ethylamine,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
8068,1937,-1,,,,0.0,MS1_match,IMQVWZKEFSFWCH-DYWIKMQHSA-N,"InChI=1S/C30H40O7/c1-9-15(3)26(33)36-14-28(8)21-12-19(7)29-13-18(6)25(37-27(34)16(4)10-2)30(29,35)23(31)17(5)11-20(22(21)28)24(29)32/h9-11,13,19-23,25,31,35H,12,14H2,1-8H3/b15-9-,16-10-/t19-,20+,21-,22+,23-,25+,28-,29+,30+/m1/s1",C/C=C(/C)C(=O)OC[C@@]1(C)[C@H]2[C@@H]3C=C(C)[C@@H](O)[C@]4(O)[C@@H](OC(=O)/C(C)=C\C)C(C)=C[C@@]4(C3=O)[C@H](C)C[C@H]21,C30H40O7,pos_1_1proton1ethylamine,512.27740362,IMQVWZKEFSFWCH,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia segetalis,825700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia segetalis'],7,0,7.0
8069,1937,-1,,,,0.0,MS1_match,GKQDCRVVJYVECB-CDSOMIKMSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(35)39-28-19(2)17-31-20(3)15-24-26(30(24,5)6)23(27(31)36)16-22(18-33)29(32(28,31)37)38-21(4)34/h11-14,16-17,20,23-24,26,28-29,33,37H,7-10,15,18H2,1-6H3/t20-,23+,24-,26+,28+,29-,31+,32-/m1/s1",CCCCCC=CC=CC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](OC(C)=O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.308703748,GKQDCRVVJYVECB,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
8070,1937,-1,,,,0.0,MS1_match,JKTMSYUQFQWQFC-HQDWXLFTSA-N,"InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-22(18-38-21(4)33)16-23-26-24(30(26,5)6)15-20(3)31(28(23)36)17-19(2)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11-,14-13+/t20-,23+,24-,26+,27+,29-,31+,32-/m1/s1",CCCCC/C=C\C=C\C(=O)O[C@@H]1C(COC(C)=O)=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C32H44O7,pos_1_1proton1ammonium,540.3087037479999,JKTMSYUQFQWQFC,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
8071,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UHNXUSWGOJMEFO-LELZANKISA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19-,20+,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8072,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
8073,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
8074,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8075,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8076,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,0,8.0
8077,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stenophylla,5800650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stenophylla'],8,0,8.0
8078,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],8,0,8.0
8079,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,VNTMXJLNIJFLIF-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-14-3-8(1-2-10(14)24)13-6-12(26)17-11(25)4-9(23)5-15(17)30-13/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,VNTMXJLNIJFLIF,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8080,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,0,8.0
8081,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8082,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],8,0,8.0
8083,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,0,8.0
8084,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8085,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,0,8.0
8086,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,0,8.0
8087,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica polita,827671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica polita'],8,0,8.0
8088,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
8089,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
8090,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],8,0,8.0
8091,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica polita,827671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica polita'],8,0,8.0
8092,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8093,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UHNXUSWGOJMEFO-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,0,8.0
8094,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UHNXUSWGOJMEFO-LELZANKISA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19-,20+,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8095,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UHNXUSWGOJMEFO-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,UHNXUSWGOJMEFO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,0,8.0
8096,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,0,8.0
8097,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica stenophylla,5800650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stenophylla'],8,0,8.0
8098,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],8,0,8.0
8099,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JPUKWEQWGBDDQB-QSOFNFLRSA-N,"InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1",O=c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056146,JPUKWEQWGBDDQB,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,0,8.0
8100,1933,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PEFNSGRTCBGNAN-QNDFHXLGSA-N,"InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12,C21H20O11,pos_1_1proton1methanol,448.10056145999977,PEFNSGRTCBGNAN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],8,0,8.0
8101,1932,-1,,,,0.36831227,ISDB,LNSIIDDYOVTXHK-KHHDSSOXSA-N,"InChI=1S/C18H35NO2/c1-3-7-15(20)10-5-4-8-14-9-6-11-17-16(14)12-18(21)13(2)19-17/h13-21H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18+/m0/s1",CCC[C@@H](O)CCCC[C@H]1CCC[C@H]2N[C@@H](C)[C@H](O)C[C@@H]12,C18H35NO2,,297.26677936,LNSIIDDYOVTXHK,Fatty acids,Sphingolipids,Sphingoid bases,Didemnum,872818.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Didemnidae'],['Unknown'],['Didemnum'],['Unknown'],2,0,3.473249077796936
8102,1926,-1,,,,0.6220123,ISDB,VMURKEGWZZKIHB-YSTOQKLRSA-N,"InChI=1S/C20H34N2S/c1-2-3-4-5-9-18-11-10-17-8-6-7-13-20(17)14-12-19(23-16-21)15-22(18)20/h17-19H,2-15H2,1H3/t17-,18-,19+,20-/m1/s1",CCCCCC[C@@H]1CC[C@H]2CCCC[C@@]23CC[C@H](SC#N)CN13,C20H34N2S,,334.244270088,VMURKEGWZZKIHB,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Nephtheis fascicularis,403137.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Enterogona'],['Polycitoridae'],['Unknown'],['Nephtheis'],['Nephtheis fascicularis'],2,0,4.488049268722534
8103,1925,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,PTNLHDGQWUGONS-OWOJBTEDSA-N,"InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+",OC/C=C/c1ccc(O)cc1,C9H10O2,pos_1_1proton1acetonitrile,150.06807956,PTNLHDGQWUGONS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
8104,1919,-1,,,,0.0,MS1_match,YOYRSOYUXNJBMN-SBFVYLSTSA-N,"InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C,C40H52O4,pos_2_2proton,596.386560144,YOYRSOYUXNJBMN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
8105,1918,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MFWOJWBKCUMOEM-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C23H28O12,pos_1_1proton1ammonium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
8106,1918,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MFWOJWBKCUMOEM-UHFFFAOYSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)",CC1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)C21,C23H28O12,pos_1_1proton1ammonium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
8107,1918,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,MFWOJWBKCUMOEM-UHFFFAOYSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)",CC1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)C21,C23H28O12,pos_1_1proton1ammonium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
8108,1918,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1proton1ammonium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
8109,1918,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1proton1ammonium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
8110,1918,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1proton1ammonium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
8111,1916,405,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VOJRKBBJGVZSAW-FRJOVYIJSA-N,"InChI=1S/C39H52O21/c1-17-34(56-18(2)41)30(47)32(49)39(55-17)60-36-33(50)38(53-12-11-20-6-9-23(51-3)22(43)13-20)58-26(16-54-37-31(48)29(46)28(45)25(15-40)57-37)35(36)59-27(44)10-7-19-5-8-21(42)24(14-19)52-4/h5-10,13-14,17,25-26,28-40,42-43,45-50H,11-12,15-16H2,1-4H3/b10-7+/t17-,25+,26+,28+,29-,30-,31+,32+,33+,34-,35+,36+,37+,38+,39-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C39H52O21,pos_1_1proton1ammonium,856.300108684,VOJRKBBJGVZSAW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,3,7.5
8112,1916,405,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OZXJNZKCDQRDPQ-UJTFLTPCSA-N,"InChI=1S/C39H52O21/c1-17-28(45)35(56-18(2)41)32(49)39(55-17)60-36-33(50)38(53-12-11-20-6-9-23(51-3)22(43)13-20)58-26(16-54-37-31(48)30(47)29(46)25(15-40)57-37)34(36)59-27(44)10-7-19-5-8-21(42)24(14-19)52-4/h5-10,13-14,17,25-26,28-40,42-43,45-50H,11-12,15-16H2,1-4H3/b10-7+/t17-,25+,26+,28-,29+,30-,31+,32+,33+,34+,35+,36+,37+,38+,39-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]3O)[C@H]2O)cc1O,C39H52O21,pos_1_1proton1ammonium,856.300108684,OZXJNZKCDQRDPQ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,3,7.5
8113,1916,405,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XQYGNOFIONAZIJ-UJTFLTPCSA-N,"InChI=1S/C39H52O21/c1-17-28(45)31(48)36(56-18(2)41)39(55-17)60-35-33(50)38(53-12-11-20-6-9-23(51-3)22(43)13-20)58-26(16-54-37-32(49)30(47)29(46)25(15-40)57-37)34(35)59-27(44)10-7-19-5-8-21(42)24(14-19)52-4/h5-10,13-14,17,25-26,28-40,42-43,45-50H,11-12,15-16H2,1-4H3/b10-7+/t17-,25+,26+,28-,29+,30-,31+,32+,33+,34+,35+,36+,37+,38+,39-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3OC(C)=O)[C@H]2O)cc1O,C39H52O21,pos_1_1proton1ammonium,856.300108684,XQYGNOFIONAZIJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,3,7.5
8114,1915,-1,,,,0.28847367,ISDB,QJDFWYBXQNDEJQ-UHFFFAOYSA-N,"InChI=1S/C35H54O2/c1-21(2)24-18-25-26(19-31-32(4,5)14-10-15-35(31,9)29(25)20-30(24)36)27-12-11-22(3)28-17-23(33(6,7)37)13-16-34(27,28)8/h18,20-21,23,26-28,31,36-37H,3,10-17,19H2,1-2,4-9H3",C=C1CCC(C2CC3C(C)(C)CCCC3(C)c3cc(O)c(C(C)C)cc32)C2(C)CCC(C(C)(C)O)CC12,C35H54O2,,506.412380968,QJDFWYBXQNDEJQ,Terpenoids,Sesquiterpenoids,,Calocedrus macrolepis,216741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus macrolepis'],1,0,2.1538946628570557
8115,1915,-1,,,,0.28847367,ISDB,QJDFWYBXQNDEJQ-RPABJFINSA-N,"InChI=1S/C35H54O2/c1-21(2)24-18-25-26(19-31-32(4,5)14-10-15-35(31,9)29(25)20-30(24)36)27-12-11-22(3)28-17-23(33(6,7)37)13-16-34(27,28)8/h18,20-21,23,26-28,31,36-37H,3,10-17,19H2,1-2,4-9H3/t23-,26+,27+,28+,31+,34+,35-/m1/s1",C=C1CC[C@@H]([C@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12,C35H54O2,,506.412380968,QJDFWYBXQNDEJQ,Terpenoids,Sesquiterpenoids,,Calocedrus formosana,408488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Calocedrus'],['Calocedrus formosana'],1,0,2.1538946628570557
8116,1912,1327,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,HFWFMXHILGQMNK-BZUYBMRVSA-N,"InChI=1S/C26H40O4/c1-15-23-21(30-26(15)9-4-5-11-29-26)13-20-18-7-6-16-12-17(27)8-10-24(16,2)19(18)14-22(28)25(20,23)3/h6,15,17-23,27-28H,4-5,7-14H2,1-3H3/t15-,17-,18+,19-,20-,21-,22+,23-,24-,25+,26+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CCCCO2,C26H40O4,pos_1_minus1proton1iron,416.2926597599999,HFWFMXHILGQMNK,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,3,9.5
8117,1911,-1,,,,0.0,MS1_match,KWDNQVRRYNIDTM-YFRCLAMXSA-N,"InChI=1S/C21H36O9/c1-10-12-6-11(4-5-21(28,9-23)13(12)7-14(10)24)20(2,3)30-19-18(27)17(26)16(25)15(8-22)29-19/h10-13,15-19,22-23,25-28H,4-9H2,1-3H3/t10-,11+,12-,13-,15+,16+,17-,18+,19-,21-/m0/s1",C[C@@H]1C(=O)C[C@H]2[C@H]1C[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]2(O)CO,C21H36O9,pos_1_1proton1ammonium,432.2359327319999,KWDNQVRRYNIDTM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
8118,1911,-1,,,,0.0,MS1_match,KWDNQVRRYNIDTM-YFRCLAMXSA-N,"InChI=1S/C21H36O9/c1-10-12-6-11(4-5-21(28,9-23)13(12)7-14(10)24)20(2,3)30-19-18(27)17(26)16(25)15(8-22)29-19/h10-13,15-19,22-23,25-28H,4-9H2,1-3H3/t10-,11+,12-,13-,15+,16+,17-,18+,19-,21-/m0/s1",C[C@@H]1C(=O)C[C@H]2[C@H]1C[C@H](C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]2(O)CO,C21H36O9,pos_1_1proton1ammonium,432.2359327319999,KWDNQVRRYNIDTM,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Atractylodes japonica,7052196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes japonica'],7,0,7.0
8119,1907,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,NMVQTCAUGXWCNZ-QFIPXVFZSA-N,"InChI=1S/C30H30O8/c1-14(2)10-11-18-27(35)20(12-19-25(33)15(3)26(34)23(16(4)31)29(19)37)30-24(28(18)36)21(32)13-22(38-30)17-8-6-5-7-9-17/h5-10,22,33-37H,11-13H2,1-4H3/t22-/m0/s1",CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(CC=C(C)C)c(O)c3c2O[C@H](c2ccccc2)CC3=O)c1O,C30H30O8,pos_2_2sodium,518.19406792,NMVQTCAUGXWCNZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Mallotus philippensis,816391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippensis'],6,2,7.0
8120,1907,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,NMVQTCAUGXWCNZ-UHFFFAOYSA-N,"InChI=1S/C30H30O8/c1-14(2)10-11-18-27(35)20(12-19-25(33)15(3)26(34)23(16(4)31)29(19)37)30-24(28(18)36)21(32)13-22(38-30)17-8-6-5-7-9-17/h5-10,22,33-37H,11-13H2,1-4H3",CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(CC=C(C)C)c(O)c3c2OC(c2ccccc2)CC3=O)c1O,C30H30O8,pos_2_2sodium,518.19406792,NMVQTCAUGXWCNZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,2,7.0
8121,1905,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.2054404,ISDB,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,9.32176160812378
8122,1900,445,Shikimates and Phenylpropanoids,Anthranilic acid alkaloids,Flavans,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_2_2sodium,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
8123,1900,445,Shikimates and Phenylpropanoids,Anthranilic acid alkaloids,Flavans,0.0,MS1_match,JVQPMSYMHZSFNV-UHDDOPSISA-N,"InChI=1S/C21H26O8/c1-26-16-11-14(6-7-15(16)24)20(25)19(12-23)29-21-17(27-2)9-13(5-4-8-22)10-18(21)28-3/h4-7,9-11,19-20,22-25H,8,12H2,1-3H3/b5-4+/t19-,20+/m1/s1",COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/CO)cc2OC)ccc1O,C21H26O8,pos_2_2sodium,406.162767792,JVQPMSYMHZSFNV,Shikimates and Phenylpropanoids,Lignans,Neolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
8124,1899,-1,,,,0.0,MS1_match,YIFCZJZMXRCLLG-FSAOVCISSA-N,"InChI=1S/C21H18O13/c22-6-2-1-5(3-7(6)23)9-4-8(24)10-12(25)15(28)13(26)11(19(10)33-9)14(27)20-17(30)16(29)18(31)21(32)34-20/h1-4,16-18,20-23,25-26,28-32H/t16-,17-,18+,20+,21+/m0/s1",O=C(c1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.074740636,YIFCZJZMXRCLLG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
8125,1899,-1,,,,0.0,MS1_match,FYOBETQRHQTVQK-UHZRXMQZSA-N,"InChI=1S/C21H18O13/c22-7-2-1-6(3-8(7)23)10-4-9(24)13-11(32-10)5-12(14(25)15(13)26)33-21(31)19-17(28)16(27)18(29)20(30)34-19/h1-5,16-20,22-23,25-30H/t16-,17-,18+,19-,20+/m0/s1",O=C(Oc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.074740636,FYOBETQRHQTVQK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
8126,1897,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.22212067,ISDB,YYXHOWXUYGQYQE-OSTGZTDHSA-N,"InChI=1S/C40H56O4/c1-8-40(25-19-31-28(3)14-18-33-37(31,5)21-11-23-39(33,7)35(43)44)24-9-12-29(26-40)15-16-30-27(2)13-17-32-36(30,4)20-10-22-38(32,6)34(41)42/h8,12,15-16,19,25,30-33H,1-3,9-11,13-14,17-18,20-24,26H2,4-7H3,(H,41,42)(H,43,44)/b16-15+,25-19+",C=CC1(/C=C/C2C(=C)CCC3C(C)(C(=O)O)CCCC23C)CCC=C(/C=C/C2C(=C)CCC3C(C)(C(=O)O)CCCC23C)C1,C40H56O4,,600.417860272,YYXHOWXUYGQYQE,Terpenoids,Diterpenoids,Labdane diterpenoids,Cunninghamia lanceolata,760790.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Unknown'],['Cupressales'],['Cupressaceae'],['Unknown'],['Cunninghamia'],['Cunninghamia lanceolata'],3,1,4.388482689857483
8127,1893,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LXZQSRKEZKPRBC-YWQDSBAJSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)43)37(45)35-19-57-41(23-13-31(51-3)39(47)32(14-23)52-4)25(17-55-35)26-18-56-36(38(46)22-8-10-28(44)30(12-22)50-2)20-58-42(26)24-15-33(53-5)40(48)34(16-24)54-6/h7-16,25-26,35-38,41-48H,17-20H2,1-6H3/t25-,26+,35-,36+,37+,38-,41-,42-/m1/s1",COc1cc([C@@H](O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]([C@H]3CO[C@@H]([C@@H](O)c4ccc(O)c(OC)c4)CO[C@@H]3c3cc(OC)c(O)c(OC)c3)CO2)ccc1O,C42H50O16,pos_2MFe,810.30988552,LXZQSRKEZKPRBC,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,1,6.5
8128,1893,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_2MFe,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
8129,1893,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_2MFe,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
8130,1893,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LSWNERGQFCAXLI-RJFHMDDPSA-N,"InChI=1S/C42H50O16/c1-49-29-11-21(7-9-27(29)45)37(47)35(17-43)57-41-31(51-3)13-23(14-32(41)52-4)39-25-19-56-40(26(25)20-55-39)24-15-33(53-5)42(34(16-24)54-6)58-36(18-44)38(48)22-8-10-28(46)30(12-22)50-2/h7-16,25-26,35-40,43-48H,17-20H2,1-6H3/t25-,26-,35+,36+,37+,38+,39+,40+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@@H](O)c4ccc(O)c(OC)c4)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_2MFe,810.3098855200002,LSWNERGQFCAXLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
8131,1893,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NQKMDFWGODIBLN-PJYBPCBOSA-N,"InChI=1S/C42H50O16/c1-49-29-12-21(10-11-27(29)45)36(47)34(17-43)57-41-30(50-2)13-22(14-31(41)51-3)38-25-19-56-39(26(25)20-55-38)23-15-32(52-4)42(33(16-23)53-5)58-35(18-44)37(48)24-8-7-9-28(46)40(24)54-6/h7-16,25-26,34-39,43-48H,17-20H2,1-6H3/t25-,26-,34+,35+,36+,37-,38+,39+/m1/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3cc(OC)c(O[C@@H](CO)[C@H](O)c4cccc(O)c4OC)c(OC)c3)cc2OC)ccc1O,C42H50O16,pos_2MFe,810.3098855200001,NQKMDFWGODIBLN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
8132,1892,172,Terpenoids,Sesquiterpenoids,Podocarpane diterpenoids,0.32628715,ISDB,VMTKGTHHOWQTRO-LLVKDONJSA-N,"InChI=1S/C16H22O/c1-10(2)13-7-6-11(3)14-9-16(17-5)12(4)8-15(13)14/h7-11H,6H2,1-5H3/t11-/m1/s1",COc1cc2c(cc1C)C(C(C)C)=CC[C@H]2C,C16H22O,,230.167065324,VMTKGTHHOWQTRO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Lemnalia cervicornis,4713433.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia cervicornis'],2,2,4.305148601531982
8133,1884,-1,,,,0.6115345,ISDB,BCLFWSYURRBECE-UHFFFAOYSA-N,"InChI=1S/C20H30O/c1-13-7-8-20-10-14(13)9-15(20)5-6-17-18(2,3)11-16(21)12-19(17,20)4/h7,14-15,17H,5-6,8-12H2,1-4H3",CC1=CCC23CC1CC2CCC1C(C)(C)CC(=O)CC13C,C20H30O,,286.22966558,BCLFWSYURRBECE,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Rhizopus oryzae,6376568.0,['Eukaryota'],['Fungi'],['Unknown'],['Mucoromycetes'],['Mucorales'],['Rhizopodaceae'],['Unknown'],['Rhizopus'],['Rhizopus oryzae'],0,0,2.4461379051208496
8134,1884,-1,,,,0.6115345,ISDB,BCLFWSYURRBECE-NHQOTNMQSA-N,"InChI=1S/C20H30O/c1-13-7-8-20-10-14(13)9-15(20)5-6-17-18(2,3)11-16(21)12-19(17,20)4/h7,14-15,17H,5-6,8-12H2,1-4H3/t14-,15-,17-,19-,20+/m0/s1",CC1=CC[C@@]23C[C@@H]1C[C@@H]2CC[C@H]1C(C)(C)CC(=O)C[C@@]13C,C20H30O,,286.22966558,BCLFWSYURRBECE,Terpenoids,Diterpenoids,Aphidicolane diterpenoids,Rhizopus arrhizus,140902.0,['Eukaryota'],['Fungi'],['Unknown'],['Mucoromycetes'],['Mucorales'],['Rhizopodaceae'],['Unknown'],['Rhizopus'],['Rhizopus arrhizus'],0,0,2.4461379051208496
8135,1883,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,2,9.0
8136,1883,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],8,2,9.0
8137,1883,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],8,2,9.0
8138,1883,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,2,9.0
8139,1883,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],8,2,9.0
8140,1883,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],8,2,9.0
8141,1882,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.30394742,ISDB,GPVDHNVGGIAOQT-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)",COc1ccc(C(=O)O)c(OC)c1,C9H10O4,,182.0579088,GPVDHNVGGIAOQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],5,3,7.7157896757125854
8142,1881,-1,,,,0.40373167,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum integrifoliolum,6125676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum integrifoliolum'],0,0,1.6149266958236694
8143,1881,-1,,,,0.40373167,ISDB,GJDPGFHVEKFXEZ-SQIWNDBBSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)/b13-12+,15-14+",CCCCCCCCC/C=C/C=C/C(=O)NCC(C)(C)O,C18H33NO2,,295.25112929600004,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],0,0,1.6149266958236694
8144,1881,-1,,,,0.40373167,ISDB,GJDPGFHVEKFXEZ-UHFFFAOYSA-N,"InChI=1S/C18H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h12-15,21H,4-11,16H2,1-3H3,(H,19,20)",CCCCCCCCCC=CC=CC(=O)NCC(C)(C)O,C18H33NO2,,295.251129296,GJDPGFHVEKFXEZ,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],0,0,1.6149266958236694
8145,1880,-1,,,,0.4332538,ISDB,,,,,,,RESRNMIXCOXYHQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.7330151796340942
8146,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RMSKZOXJAHOIER-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199999,RMSKZOXJAHOIER,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
8147,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
8148,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-UHFFFAOYSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3",COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.16864102,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
8149,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-UHFFFAOYSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3",COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.16864102,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
8150,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,3,9.5
8151,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
8152,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-UHFFFAOYSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3",COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.16864102,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
8153,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
8154,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
8155,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
8156,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
8157,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-UHFFFAOYSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3",COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.16864102,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
8158,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-UHFFFAOYSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3",COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.16864102,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
8159,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
8160,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-UHFFFAOYSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3",COc1ccc(C=CC(=O)OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.16864102,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
8161,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
8162,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,3,9.5
8163,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,3,9.5
8164,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RMSKZOXJAHOIER-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199999,RMSKZOXJAHOIER,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
8165,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RMSKZOXJAHOIER-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199999,RMSKZOXJAHOIER,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
8166,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,LRHHPZILMPIMIY-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1ccc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)cc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199998,LRHHPZILMPIMIY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,3,9.5
8167,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RMSKZOXJAHOIER-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199999,RMSKZOXJAHOIER,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,3,9.5
8168,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RMSKZOXJAHOIER-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199999,RMSKZOXJAHOIER,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,3,9.5
8169,1877,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RMSKZOXJAHOIER-GGKKSNITSA-N,"InChI=1S/C25H30O13/c1-33-14-8-11(2-4-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C25H30O13,pos_1_1proton1ammonium,538.1686410199999,RMSKZOXJAHOIER,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,3,9.5
8170,1876,923,Fatty acids,Fatty esters,Lactones,0.0,MS1_match,OALYTRUKMRCXNH-QMMMGPOBSA-N,"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1",CCCCC[C@H]1CCC(=O)O1,C9H16O2,pos_1_1proton1ethylamine,156.115029752,OALYTRUKMRCXNH,Fatty acids,Fatty esters,Lactones,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,3,7.5
8171,1870,124,Fatty acids,Fatty amides,Primary amides,0.66746265,ISDB,CAMNFGRSYHBOEL-CHWSQXEVSA-N,"InChI=1S/C13H27N/c1-3-5-7-9-13-11-10-12(14-13)8-6-4-2/h12-14H,3-11H2,1-2H3/t12-,13-/m1/s1",CCCCC[C@@H]1CC[C@@H](CCCC)N1,C13H27N,,197.214349864,CAMNFGRSYHBOEL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Myrmicaria melanogaster,3254444.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Myrmicariini'],['Myrmicaria'],['Myrmicaria melanogaster'],2,0,4.669850587844849
8172,1868,-1,,,,0.0,MS1_match,LZTYBKHXAMRXFA-PEAKMADDSA-N,"InChI=1S/C49H81NO20/c1-20-4-6-22-13-27-28(50(22)15-20)14-26-24-7-5-21-12-23(8-10-48(21,2)25(24)9-11-49(26,27)3)63-44-40(62)37(59)41(32(19-54)67-44)68-47-43(70-46-39(61)36(58)33(55)29(16-51)64-46)42(35(57)31(18-53)66-47)69-45-38(60)34(56)30(17-52)65-45/h20-47,51-62H,4-19H2,1-3H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29+,30+,31+,32+,33+,34-,35+,36-,37+,38+,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49-/m0/s1",C[C@H]1CC[C@@H]2C[C@H]3[C@H](C[C@H]4[C@@H]5CC[C@H]6C[C@@H](O[C@@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H]9O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1,C49H81NO20,pos_2_2proton1ammonium,1003.535193992,LZTYBKHXAMRXFA,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum demissum,66505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum demissum'],8,0,8.0
8173,1868,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_minus1proton1iron,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,0,8.0
8174,1868,-1,,,,0.0,MS1_match,QGJZLNKBHJESQX-FZFNOLFKSA-N,"InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H48O3,pos_1_minus1proton1iron,456.360345396,QGJZLNKBHJESQX,Terpenoids,Triterpenoids,Lupane triterpenoids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,0,8.0
8175,1868,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_minus1proton1iron,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
8176,1868,-1,,,,0.0,MS1_match,WCGUUGGRBIKTOS-GPOJBZKASA-N,"InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1",C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12,C30H48O3,pos_1_minus1proton1iron,456.3603453959999,WCGUUGGRBIKTOS,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
8177,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neoserrata,1021278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neoserrata'],7,0,7.0
8178,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,0,7.0
8179,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
8180,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
8181,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,0,7.0
8182,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,0,7.0
8183,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,0,7.0
8184,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neopulchella,1060168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neopulchella'],7,0,7.0
8185,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
8186,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,0,7.0
8187,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus junonianus,404587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus junonianus'],7,0,7.0
8188,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
8189,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
8190,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea eopygmaea,869865.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea eopygmaea'],7,0,7.0
8191,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea brunneopilosa,410121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea brunneopilosa'],7,0,7.0
8192,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],7,0,7.0
8193,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria crupinoides,1036515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria crupinoides'],7,0,7.0
8194,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,0,7.0
8195,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
8196,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,0,7.0
8197,1866,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
8198,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
8199,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,0,7.0
8200,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,0,7.0
8201,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,0,7.0
8202,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
8203,1866,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-RMCNWUJSSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
8204,1866,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
8205,1866,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,0,7.0
8206,1866,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
8207,1866,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
8208,1866,-1,,,,0.0,MS1_match,YEIAHHGCPUIGOQ-ZMIPQNLBSA-N,"InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12-,13+,15+,17-,18-,19-/m1/s1",C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23,C19H22O6,pos_2MNa,346.141638424,YEIAHHGCPUIGOQ,Terpenoids,Diterpenoids,,Centaurea sulphurea,539756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sulphurea'],7,0,7.0
8209,1866,-1,,,,0.0,MS1_match,YEIAHHGCPUIGOQ-ZMIPQNLBSA-N,"InChI=1S/C19H22O6/c1-9(2)19(22)18(5)15-12(23-16(18)21)6-10(3)11-7-14(20)17(4,24-11)8-13(15)25-19/h6-7,12-13,15,22H,1,8H2,2-5H3/b10-6-/t12-,13+,15+,17-,18-,19-/m1/s1",C=C(C)[C@@]1(O)O[C@H]2C[C@@]3(C)OC(=CC3=O)/C(C)=C\[C@H]3OC(=O)[C@@]1(C)[C@H]23,C19H22O6,pos_2MNa,346.141638424,YEIAHHGCPUIGOQ,Terpenoids,Diterpenoids,,Centaurea sulphurea,539756.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sulphurea'],7,0,7.0
8210,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,0,7.0
8211,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
8212,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,0,7.0
8213,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
8214,1866,-1,,,,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
8215,1866,-1,,,,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
8216,1866,-1,,,,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_2MNa,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
8217,1866,-1,,,,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_2MNa,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
8218,1866,-1,,,,0.0,MS1_match,YRUWRVGOCZWDBR-UVTPGSKWSA-N,"InChI=1S/C19H22O6/c1-11-5-4-6-14(10-21)8-16(24-18(22)12(2)9-20)17-13(3)19(23)25-15(17)7-11/h5,8,10,15-17,20H,2-4,6-7,9H2,1H3/b11-5-,14-8+/t15-,16+,17+/m1/s1",C=C(CO)C(=O)O[C@H]1/C=C(/C=O)CC/C=C(/C)C[C@H]2OC(=O)C(=C)[C@H]12,C19H22O6,pos_2MNa,346.14163842399995,YRUWRVGOCZWDBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
8219,1866,-1,,,,0.0,MS1_match,YRUWRVGOCZWDBR-UVTPGSKWSA-N,"InChI=1S/C19H22O6/c1-11-5-4-6-14(10-21)8-16(24-18(22)12(2)9-20)17-13(3)19(23)25-15(17)7-11/h5,8,10,15-17,20H,2-4,6-7,9H2,1H3/b11-5-,14-8+/t15-,16+,17+/m1/s1",C=C(CO)C(=O)O[C@H]1/C=C(/C=O)CC/C=C(/C)C[C@H]2OC(=O)C(=C)[C@H]12,C19H22O6,pos_2MNa,346.14163842399995,YRUWRVGOCZWDBR,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
8220,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,0,7.0
8221,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
8222,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
8223,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,0,7.0
8224,1866,-1,,,,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,0,7.0
8225,1866,-1,,,,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
8226,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum serratuloides,385654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum serratuloides'],7,0,7.0
8227,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,0,7.0
8228,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
8229,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,0,7.0
8230,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
8231,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,0,7.0
8232,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,0,7.0
8233,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,0,7.0
8234,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,0,7.0
8235,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea rhaponticoides,5537492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea rhaponticoides'],7,0,7.0
8236,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
8237,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea thracica,569822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea thracica'],7,0,7.0
8238,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,0,7.0
8239,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,0,7.0
8240,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,0,7.0
8241,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
8242,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,0,7.0
8243,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
8244,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,0,7.0
8245,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,0,7.0
8246,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
8247,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
8248,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
8249,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
8250,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,0,7.0
8251,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
8252,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
8253,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,0,7.0
8254,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
8255,1866,-1,,,,0.0,MS1_match,SLZZSZNKFRLTEG-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-12(20)15-10(3)17(21)25-16(15)14-9(2)13(6-11(8)14)24-18(22)19(4)7-23-19/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)[C@]4(C)CO4)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C19H22O6,pos_2MNa,346.141638424,SLZZSZNKFRLTEG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,0,7.0
8256,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8257,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8258,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,0,7.0
8259,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
8260,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea lipschitzii,7612463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea lipschitzii'],7,0,7.0
8261,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,0,7.0
8262,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,0,7.0
8263,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,0,7.0
8264,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia adenosticta,368326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia adenosticta'],7,0,7.0
8265,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
8266,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,0,7.0
8267,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,0,7.0
8268,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,0,7.0
8269,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
8270,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
8271,1866,-1,,,,0.0,MS1_match,MRBKKNMFILNDIF-NZLQQEQQSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
8272,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea ptosimopappoides,49199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ptosimopappoides'],7,0,7.0
8273,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
8274,1866,-1,,,,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MNa,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurothamnus maximus,879499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurothamnus'],['Centaurothamnus maximus'],7,0,7.0
8275,1864,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.6120636,ISDB,SHZMGEYUEFSGCM-DNRYLMBSSA-N,"InChI=1S/C15H20O8/c1-6-4-8(17)7-2-3-21-14(10(6)7)23-15-13(20)12(19)11(18)9(5-16)22-15/h2-4,7,9-16,18-20H,5H2,1H3/t7-,9+,10+,11+,12-,13+,14-,15-/m0/s1",CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H20O8,,328.1158176,SHZMGEYUEFSGCM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,8.448254346847534
8276,1861,-1,,,,0.31769264,ISDB,,,,,,,YWWVBROFNGKKDP,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.27077054977417
8277,1859,-1,,,,0.25604746,ISDB,NSOPGAYUGBZWHL-YTWBPVBXSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,0,5.024189829826355
8278,1859,-1,,,,0.25604746,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],4,0,5.024189829826355
8279,1859,-1,,,,0.25604746,ISDB,NSOPGAYUGBZWHL-UHFFFAOYSA-N,"InChI=1S/C39H64O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,37,40H,3-4,9-10,15-16,21-36H2,1-2H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC=CCC=CCC=CCC,C39H64O5,,612.475375148,NSOPGAYUGBZWHL,Fatty acids,Glycerolipids,Triacylglycerols,Angelica sinensis,182228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Selineae'],['Angelica'],['Angelica sinensis'],4,0,5.024189829826355
8280,1857,202,Shikimates and Phenylpropanoids,Stilbenoids,Cinnamic acids and derivatives,0.0,MS1_match,YLCIIGMCDMDYJF-JTNHKYCSSA-N,"InChI=1S/C14H16O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-11,14-18H,3-4,6H2/t10-,11-,14-/m1/s1",O=C1C(=O)[C@H](O)[C@@H](CO)O[C@H]1OCCc1ccc(O)c(O)c1,C14H16O8,pos_1_1proton,312.084517472,YLCIIGMCDMDYJF,,,,Chelone obliqua,710204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Chelone'],['Chelone obliqua'],6,0,6.0
8281,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1sodium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,1,7.5
8282,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1sodium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,1,7.5
8283,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1sodium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,1,7.5
8284,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1sodium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,1,7.5
8285,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,YIRQAQBMBKUQDI-JGGVDJITSA-N,"InChI=1S/C15H20O5/c1-8-13-10(17)6-15(2)12(20-15)4-3-9(7-16)5-11(13)19-14(8)18/h5,10-13,16-17H,1,3-4,6-7H2,2H3/b9-5-/t10-,11+,12+,13+,15-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC[C@H]3O[C@@]3(C)C[C@H](O)[C@@H]12,C15H20O5,pos_1_1sodium,280.13107374,YIRQAQBMBKUQDI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,1,7.5
8286,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,PJDABWGWSDUIAM-YGZRBXPVSA-N,"InChI=1S/C15H20O5/c1-7-11-9(17)5-15(2)10(18)4-3-8(6-16)12(15)13(11)20-14(7)19/h6,8-13,17-18H,1,3-5H2,2H3/t8-,9-,10+,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](C=O)CC[C@H]1O,C15H20O5,pos_1_1sodium,280.13107374,PJDABWGWSDUIAM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,1,7.5
8287,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1sodium,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,1,7.5
8288,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1sodium,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,1,7.5
8289,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1sodium,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,1,7.5
8290,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1sodium,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,1,7.5
8291,1856,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1sodium,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,1,7.5
8292,1855,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2MNa,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
8293,1854,-1,,,,0.0,MS1_match,QIQNNBXHAYSQRY-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-11-6-3-4-7(11)9(8(12)5-6)10(13)14-2/h6-9,12H,3-5H2,1-2H3",COC(=O)C1C(O)CC2CCC1N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,QIQNNBXHAYSQRY,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
8294,1854,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia arborea,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0
8295,1854,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura candida,843304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia arborea'],6,0,6.0
8296,1854,-1,,,,0.0,MS1_match,IQJHMKLTWPJIHO-QGVKSAJWSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-8-3-7-4-10(13)9(5-8)11(7)2/h7-10,13H,3-5H2,1-2H3/t7-,8?,9+,10?/m0/s1",CC(=O)OC1C[C@H]2CC(O)[C@@H](C1)N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IQJHMKLTWPJIHO,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
8297,1854,-1,,,,0.0,MS1_match,IAWYYJRDAMGQCB-JVHMLUBASA-N,"InChI=1S/C10H17NO3/c1-11-7-2-3-8(11)5-9(4-7)14-10(13)6-12/h7-9,12H,2-6H2,1H3/t7-,8+,9?",CN1[C@@H]2CC[C@H]1CC(OC(=O)CO)C2,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,IAWYYJRDAMGQCB,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
8298,1854,-1,,,,0.0,MS1_match,AEVQETQLKSVJET-UHFFFAOYSA-N,"InChI=1S/C10H17NO3/c1-6(12)14-10-4-7-3-8(13)5-9(10)11(7)2/h7-10,13H,3-5H2,1-2H3",CC(=O)OC1CC2CC(O)CC1N2C,C10H17NO3,pos_1_1proton1acetonitrile,199.120843404,AEVQETQLKSVJET,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
8299,1854,-1,,,,0.0,MS1_match,VSYLEWGIVLSDIY-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11,14H,5-9H2,1-4H3",CC1=C(CCC(C)O)C(C)(C)CCC1,C13H24O,pos_1_minus1proton2sodium,196.182715388,VSYLEWGIVLSDIY,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
8300,1854,-1,,,,0.0,MS1_match,PQCDGQHNORPNBR-UHFFFAOYSA-N,"InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h10,12H,5-9H2,1-4H3",CC(=O)CCC1C(C)CCCC1(C)C,C13H24O,pos_1_minus1proton2sodium,196.182715388,PQCDGQHNORPNBR,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,0,6.0
8301,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-UHFFFAOYSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC=CC(=O)C4(C)C3CCC12C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0
8302,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-UHFFFAOYSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3",C=C1C(=O)OC2CC1(C)OCC2C1CCC2C3CC=C4CC=CC(=O)C4(C)C3CCC12C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
8303,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-BDQUCQQCSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3/t18?,19?,20?,21-,22?,23?,26+,27?,28+/m1/s1",C=C1C(=O)OC2CC1(C)OCC2[C@H]1CCC2C3CC=C4CC=CC(=O)[C@]4(C)C3CC[C@@]21C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura innoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,0,6.0
8304,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-FIPVAASQSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3/t18-,19-,20-,21+,22-,23+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura quercifolia,1055243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura quercifolia'],6,0,6.0
8305,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-FIPVAASQSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3/t18-,19-,20-,21+,22-,23+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura ferox,449193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura ferox'],6,0,6.0
8306,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-FIPVAASQSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3/t18-,19-,20-,21+,22-,23+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0
8307,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-BLLVYBCKSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3/t18-,19-,20-,21+,22-,23+,26-,27+,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
8308,1851,-1,,,,0.0,MS1_match,QUGZOXCXHGEACS-FIPVAASQSA-N,"InChI=1S/C28H36O4/c1-16-25(30)32-23-14-27(16,3)31-15-19(23)21-11-10-20-18-9-8-17-6-5-7-24(29)28(17,4)22(18)12-13-26(20,21)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3/t18-,19-,20-,21+,22-,23+,26-,27-,28-/m0/s1",C=C1C(=O)O[C@@H]2C[C@]1(C)OC[C@H]2[C@H]1CC[C@H]2[C@@H]3CC=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C,C28H36O4,pos_2MMg,436.261359632,QUGZOXCXHGEACS,Terpenoids,Steroids,Ergostane steroids,Datura stramonium var. tatula,840205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,0,6.0
8309,1851,-1,,,,0.0,MS1_match,OCMDYXHJUPRDJO-FQQMEQLXSA-N,"InChI=1S/C28H36O4/c1-16-25(30)31-18-14-23(32-27(16,3)15-18)22-11-10-20-19-9-8-17-6-5-7-24(29)28(17,4)21(19)12-13-26(20,22)2/h5,7-8,18-23H,1,6,9-15H2,2-4H3/t18-,19+,20+,21+,22-,23-,26+,27+,28+/m1/s1",C=C1C(=O)O[C@@H]2C[C@H]([C@H]3CC[C@H]4[C@@H]5CC=C6CC=CC(=O)[C@]6(C)[C@H]5CC[C@]34C)O[C@@]1(C)C2,C28H36O4,pos_2MMg,436.261359632,OCMDYXHJUPRDJO,Terpenoids,Steroids,Ergostane steroids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,0,6.0
8310,1851,-1,,,,0.0,MS1_match,JDUIGAYKAPJCHV-MRHWPVOXSA-N,"InChI=1S/C28H36O4/c1-15-14-24(32-26(31)16(15)2)17(3)19-8-9-20-18-6-7-22-23(29)10-11-25(30)28(22,5)21(18)12-13-27(19,20)4/h7-8,10-11,17-18,20-21,23-24,29H,6,9,12-14H2,1-5H3/t17-,18-,20-,21-,23-,24+,27+,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@H](C)C2=CC[C@H]3[C@@H]4CC=C5[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C28H36O4,pos_2MMg,436.261359632,JDUIGAYKAPJCHV,Terpenoids,Steroids,Ergostane steroids,Withania aristata,387708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania aristata'],6,0,6.0
8311,1851,-1,,,,0.0,MS1_match,VURCSOXQTCBYLG-LHDXNQTOSA-N,"InChI=1S/C28H36O4/c1-16-15-23(31-24(30)17(16)2)27(5)21-12-14-28(32-27)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23H,8,10-15H2,1-5H3/t19-,20+,21+,23+,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3C=CCC(=O)[C@@]32C)C1,C28H36O4,pos_2MMg,436.261359632,VURCSOXQTCBYLG,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0
8312,1851,-1,,,,0.0,MS1_match,KSZAZZSKOPGMLD-LXSIAZRUSA-N,"InChI=1S/C28H36O4/c1-16-15-23(31-24(30)17(16)2)27(5)21-12-14-28(32-27)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6,8-9,19-21,23H,7,10-15H2,1-5H3/t19-,20+,21-,23+,25+,26-,27-,28+/m0/s1",CC1=C(C)C(=O)O[C@@H]([C@@]2(C)O[C@@]34CC[C@H]2[C@@]3(C)CC[C@H]2[C@H]4CC=C3CC=CC(=O)[C@@]32C)C1,C28H36O4,pos_2MMg,436.261359632,KSZAZZSKOPGMLD,Terpenoids,Steroids,Ergostane steroids,Withania coagulans,819596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania coagulans'],6,0,6.0
8313,1850,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.63921756,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha glandulifera,610113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha glandulifera'],6,3,10.056870222091675
8314,1850,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.63921756,ISDB,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha ciliata,3914323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha ciliata'],6,3,10.056870222091675
8315,1846,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ILTHPPRTQUWWGU-NXUBFONISA-N,"InChI=1S/C21H22O10/c22-8-17-19(27)20(28)21(9-23,31-17)30-12-5-13(25)18-14(26)7-15(29-16(18)6-12)10-1-3-11(24)4-2-10/h1-6,15,17,19-20,22-25,27-28H,7-9H2/t15-,17+,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,ILTHPPRTQUWWGU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],7,1,7.5
8316,1845,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.8369278,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.847711086273193
8317,1843,-1,,,,0.3246716,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],1,0,2.298686385154724
8318,1843,-1,,,,0.3246716,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],1,0,2.298686385154724
8319,1843,-1,,,,0.3246716,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],1,0,2.298686385154724
8320,1843,-1,,,,0.3246716,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],1,0,2.298686385154724
8321,1843,-1,,,,0.3246716,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper guineense,233005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guineense'],1,0,2.298686385154724
8322,1843,-1,,,,0.3246716,ISDB,QQCGKIZHTJLRNN-UHFFFAOYSA-N,"InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)",CCCCCCCCCCCCCC=CC=CC(=O)NCC(C)C,C22H41NO,,335.318814932,QQCGKIZHTJLRNN,Fatty acids,Fatty amides,N-acyl amines,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],1,0,2.298686385154724
8323,1842,234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NEJKEXUJCSYMCC-NUBQEMHQSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21-,22?,23?,24?,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
8324,1842,234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,UWQOGHWNWIJMNI-PYTIZSGZSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)44-26-20(34)17-13(31)6-11(41-28-24(38)22(36)19(33)16(8-29)43-28)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21?,22-,23-,24?,27-,28+/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)ccc1O,C28H32O16,pos_1_1proton,624.169034944,UWQOGHWNWIJMNI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
8325,1842,234,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NEJKEXUJCSYMCC-NUBQEMHQSA-N,"InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9?,16?,18-,19+,21-,22?,23?,24?,27-,28-/m0/s1",COc1cc(-c2oc3cc(O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O,C28H32O16,pos_1_1proton,624.1690349439999,NEJKEXUJCSYMCC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
8326,1841,124,Fatty acids,Fatty amides,Primary amides,0.63889784,ISDB,AMLDBWWQKYLAHJ-UHFFFAOYSA-N,"InChI=1S/C17H35NO/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-18-17(3)19/h16H,4-15H2,1-3H3,(H,18,19)",CC(=O)NCCCCCCCCCCCCC(C)C,C17H35NO,,269.27186474,AMLDBWWQKYLAHJ,Fatty acids,Fatty amides,N-acyl amines,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,2,7.555591344833374
8327,1840,445,Shikimates and Phenylpropanoids,Anthranilic acid alkaloids,Flavans,0.0,MS1_match,MKMCJLMBVKHUMS-UHFFFAOYSA-N,"InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-8(10)9-6/h2-4H,1H3,(H,9,10)",COc1ccc2nc(O)oc2c1,C8H7NO3,pos_1_1proton,165.042593084,MKMCJLMBVKHUMS,Shikimates and Phenylpropanoids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
8328,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene linicola,418327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene linicola'],6,0,6.0
8329,1838,-1,,,,0.0,MS1_match,KFLDRYHMXLUSFO-ISSBNPATSA-N,"InChI=1S/C27H44O6/c1-23(2,31)9-6-10-26(5,32)22-8-12-27(33)17-13-19(28)18-14-20(29)21(30)15-24(18,3)16(17)7-11-25(22,27)4/h13,16,18,20-22,29-33H,6-12,14-15H2,1-5H3/t16-,18-,20+,21-,22-,24+,25+,26-,27+/m0/s1",CC(C)(O)CCC[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,KFLDRYHMXLUSFO,Terpenoids,Steroids,Ecdysteroids,Silene viridiflora,279246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene viridiflora'],6,0,6.0
8330,1838,-1,,,,0.0,MS1_match,KFLDRYHMXLUSFO-ISSBNPATSA-N,"InChI=1S/C27H44O6/c1-23(2,31)9-6-10-26(5,32)22-8-12-27(33)17-13-19(28)18-14-20(29)21(30)15-24(18,3)16(17)7-11-25(22,27)4/h13,16,18,20-22,29-33H,6-12,14-15H2,1-5H3/t16-,18-,20+,21-,22-,24+,25+,26-,27+/m0/s1",CC(C)(O)CCC[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,KFLDRYHMXLUSFO,Terpenoids,Steroids,Ecdysteroids,Silene indica,261186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene indica'],6,0,6.0
8331,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-GLPVALQZSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene linicola,418327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene linicola'],6,0,6.0
8332,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-UBUXAIDUSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17+,19-,21+,22+,24-,25-,26-,27-/m1/s1",CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene brahuica,6037199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene brahuica'],6,0,6.0
8333,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-MBYAXLKMSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17+,19+,21+,22-,24-,25-,26-,27-/m1/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene praemixta,6037563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene praemixta'],6,0,6.0
8334,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-GLPVALQZSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene vulgaris,356125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene vulgaris'],6,0,6.0
8335,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-GLPVALQZSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene wallichiana,7049501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene wallichiana'],6,0,6.0
8336,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-MVSFOFFUSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26-,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene longicalycina,6037441.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene longicalycina'],6,0,6.0
8337,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-MVSFOFFUSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26-,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene tachtensis,6037669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene tachtensis'],6,0,6.0
8338,1838,-1,,,,0.0,MS1_match,JNTQSSGVHLUIBL-GLPVALQZSA-N,"InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16-,17-,19-,21-,22+,24+,25+,26+,27+/m0/s1",CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JNTQSSGVHLUIBL,Terpenoids,Steroids,Ecdysteroids,Silene viridiflora,279246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene viridiflora'],6,0,6.0
8339,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene italica,569504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene italica'],6,0,6.0
8340,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene chalcedonica,115695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene chalcedonica'],6,0,6.0
8341,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene brahuica,6037199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene brahuica'],6,0,6.0
8342,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-IOOUKINDSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20-,22+,23-,25+,26+,27+/m0/s1",C[C@@H]([C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)[C@@H](O)CCC(C)(C)O,C27H44O6,pos_1_1proton1isopropanol,464.313789128,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene praemixta,6037563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene praemixta'],6,0,6.0
8343,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene otites,577238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene otites'],6,0,6.0
8344,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Lychnis fulgens,1070599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene banksia'],6,0,6.0
8345,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene fulgens,1070599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene banksia'],6,0,6.0
8346,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene linicola,418327.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene linicola'],6,0,6.0
8347,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene italica,569504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene italica'],6,0,6.0
8348,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene chalcedonica,115695.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene chalcedonica'],6,0,6.0
8349,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene brahuica,6037199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene brahuica'],6,0,6.0
8350,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-IOOUKINDSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20-,22+,23-,25+,26+,27+/m0/s1",C[C@@H]([C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)[C@@H](O)CCC(C)(C)O,C27H44O6,pos_1_1proton1isopropanol,464.313789128,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene praemixta,6037563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene praemixta'],6,0,6.0
8351,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene otites,577238.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene otites'],6,0,6.0
8352,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Lychnis fulgens,1070599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene banksia'],6,0,6.0
8353,1838,-1,,,,0.0,MS1_match,UPEZCKBFRMILAV-JMZLNJERSA-N,"InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.3137891279999,UPEZCKBFRMILAV,Terpenoids,Steroids,Ecdysteroids,Silene fulgens,1070599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene banksia'],6,0,6.0
8354,1838,-1,,,,0.0,MS1_match,KFLDRYHMXLUSFO-ISSBNPATSA-N,"InChI=1S/C27H44O6/c1-23(2,31)9-6-10-26(5,32)22-8-12-27(33)17-13-19(28)18-14-20(29)21(30)15-24(18,3)16(17)7-11-25(22,27)4/h13,16,18,20-22,29-33H,6-12,14-15H2,1-5H3/t16-,18-,20+,21-,22-,24+,25+,26-,27+/m0/s1",CC(C)(O)CCC[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,KFLDRYHMXLUSFO,Terpenoids,Steroids,Ecdysteroids,Silene nutans,577235.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene nutans'],6,0,6.0
8355,1838,-1,,,,0.0,MS1_match,JPYQEJHOBNSQLC-UQNABKSDSA-N,"InChI=1S/C27H44O6/c1-16(21(29)9-10-23(2,3)31)18-8-13-26(32)20-14-22(30)27(33)15-17(28)6-11-25(27,5)19(20)7-12-24(18,26)4/h14,16-19,21,28-29,31-33H,6-13,15H2,1-5H3/t16-,17-,18+,19-,21+,24+,25+,26+,27+/m0/s1",C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H44O6,pos_1_1proton1isopropanol,464.313789128,JPYQEJHOBNSQLC,Terpenoids,Steroids,Ecdysteroids,Silene brahuica,6037199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Sileneae'],['Silene'],['Silene brahuica'],6,0,6.0
8356,1836,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
8357,1836,-1,,,,0.0,MS1_match,AJWCYHXAGRQFMF-ZVEGZMIISA-N,"InChI=1S/C31H42O10/c1-15-14-31-22(23(15)39-28(36)19-11-9-8-10-12-19)27-30(7,41-27)21(38-18(4)33)13-20(37-17(3)32)29(5,6)26(35)24(40-31)16(2)25(31)34/h8-12,15-16,20-27,34-35H,13-14H2,1-7H3/t15-,16+,20+,21+,22+,23-,24+,25-,26-,27+,30+,31+/m0/s1",CC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)O[C@@H]2[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]23O[C@H]([C@@H](C)[C@@H]3O)[C@H](O)C1(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,AJWCYHXAGRQFMF,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
8358,1836,-1,,,,0.0,MS1_match,UZRKPVBMUCEXBL-SKGWOQKVSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-24-17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(37-18(6)32)25(38-19(7)33)22-21(24)29(22,9)10/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UZRKPVBMUCEXBL,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia triangularis,411388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia triangularis'],7,0,7.0
8359,1836,-1,,,,0.0,MS1_match,UZRKPVBMUCEXBL-SKGWOQKVSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-24-17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(37-18(6)32)25(38-19(7)33)22-21(24)29(22,9)10/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UZRKPVBMUCEXBL,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia ledienii,292592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ledienii'],7,0,7.0
8360,1836,-1,,,,0.0,MS1_match,UZRKPVBMUCEXBL-SKGWOQKVSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-24-17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(37-18(6)32)25(38-19(7)33)22-21(24)29(22,9)10/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UZRKPVBMUCEXBL,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia caerulescens,136212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia caerulescens'],7,0,7.0
8361,1836,-1,,,,0.0,MS1_match,DVFBOMVAFAYEHO-KBRUKHPQSA-N,"InChI=1S/C31H42O10/c1-17-15-22-25(40-27(36)21-11-9-8-10-12-21)18(2)26(35)31(22,41-20(4)33)28(37)30(7,38)14-13-29(5,6)24(16-23(17)34)39-19(3)32/h8-15,18,22-26,28,34-35,37-38H,16H2,1-7H3/b14-13+,17-15?/t18-,22+,23-,24+,25+,26+,28-,30+,31+/m1/s1",CC(=O)O[C@H]1C[C@@H](O)C(C)=C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](O)[C@]2(OC(C)=O)[C@H](O)[C@@](C)(O)/C=C/C1(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,DVFBOMVAFAYEHO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
8362,1836,-1,,,,0.0,MS1_match,UXXCYRXOIGPLCA-PNURPOIQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)25(40-21(4)34)16-19(2)27(41-22(5)35)26-28(42-31(39)24-12-10-9-11-13-24)20(3)17-33(26,29(18)37)43-23(6)36/h9-15,18,20,25-28H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,26-,27-,28-,33+/m0/s1",C=C1C[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H40O10,pos_1_1sodium,596.26214748,UXXCYRXOIGPLCA,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
8363,1836,-1,,,,0.0,MS1_match,YCHJWRVSZGGWFE-MQFNCDSZSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-14,16,20,25-28H,15,17H2,1-8H3/b18-14-,19-16+/t20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)C/C=C(/C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1sodium,596.26214748,YCHJWRVSZGGWFE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
8364,1836,-1,,,,0.0,MS1_match,KTYYUKJLUJGKMG-JFGBKWHQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-16,18,20,25-28H,17H2,1-8H3/b15-14+,19-16+/t18-,20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1sodium,596.26214748,KTYYUKJLUJGKMG,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
8365,1836,-1,,,,0.0,MS1_match,UITHKGLLFMAUBX-NDEIKLGZSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-25-22-21(29(22,9)10)24(38-19(7)33)17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(25)37-18(6)32/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17-,21-,22+,23+,24+,25+,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(C)=O)O4)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UITHKGLLFMAUBX,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
8366,1836,-1,,,,0.0,MS1_match,AZYFFNZMEAGTQA-HWQDMKBVSA-N,"InChI=1S/C33H40O10/c1-17-12-13-23-14-32(16-41-19(3)34)28(38)25-27(40-15-22-10-8-7-9-11-22)18(2)29(42-20(4)35)33(25,39)30(43-21(5)36)31(32,6)24(23)26(17)37/h7-13,18,25,27-30,37-39H,14-16H2,1-6H3/t18-,25-,27+,28-,29-,30-,31-,32-,33+/m1/s1",CC(=O)OC[C@@]12Cc3ccc(C)c(O)c3[C@]1(C)[C@@H](OC(C)=O)[C@]1(O)[C@H]([C@@H](OCc3ccccc3)[C@@H](C)[C@H]1OC(C)=O)[C@H]2O,C33H40O10,pos_1_1sodium,596.26214748,AZYFFNZMEAGTQA,Terpenoids,,,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
8367,1836,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
8368,1836,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
8369,1836,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
8370,1836,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
8371,1836,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
8372,1836,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
8373,1836,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
8374,1836,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
8375,1836,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
8376,1836,-1,,,,0.0,MS1_match,NDFXRYYKHPTWQZ-JMHMQHLHSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-23-15(3)12-31-27(39-20(8)34)16(4)13-30(31,41-31)26(35)17(5)24(37-18(6)32)21-22(29(21,9)10)25(23)38-19(7)33/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11-,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1/C(C)=C/[C@@]23O[C@@]2(C[C@H](C)[C@@H]3OC(C)=O)C(=O)[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]([C@@H]1OC(C)=O)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,NDFXRYYKHPTWQZ,Terpenoids,Sesquiterpenoids,,Euphorbia abyssinica,455229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia abyssinica'],7,0,7.0
8377,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,3,7.5
8378,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium elegans,5727869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium elegans'],6,3,7.5
8379,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium grandiflorum,5727864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium grandiflorum'],6,3,7.5
8380,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,3,7.5
8381,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sarcocapnos saetabensis,262598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos saetabensis'],6,3,7.5
8382,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,7.5
8383,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,3,7.5
8384,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,3,7.5
8385,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,3,7.5
8386,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium corniculatum,3944918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium corniculatum'],6,3,7.5
8387,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,3,7.5
8388,1832,632,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,0.0,MS1_match,ZYKCETVKVRJFGD-UHFFFAOYSA-N,"InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3",COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3ccnc(c13)C2=O,C20H17NO5,pos_1_1proton,351.110672644,ZYKCETVKVRJFGD,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
8389,1829,-1,,,,0.0,MS1_match,CXQMMYXQVURUGW-GRKNLSHJSA-N,"InChI=1S/C31H42O9/c1-20(2)15-29(33)38-14-8-9-22-10-13-25(27(17-22)36-6)40-28(19-39-30(34)16-21(3)4)31(37-7)23-11-12-24(32)26(18-23)35-5/h8-13,17-18,20-21,28,31-32H,14-16,19H2,1-7H3/t28-,31-/m1/s1",COc1cc([C@@H](OC)[C@@H](COC(=O)CC(C)C)Oc2ccc(C=CCOC(=O)CC(C)C)cc2OC)ccc1O,C31H42O9,pos_1_1proton1dmso,558.282882924,CXQMMYXQVURUGW,Shikimates and Phenylpropanoids,Lignans,Neolignans,Nannoglottis carpesioides,633777.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nannoglottis'],['Nannoglottis carpesioides'],6,0,6.0
8390,1828,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.76550376,ISDB,TUCMDDWTBVMRTP-UHFFFAOYSA-N,"InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,18H,2,5,8,11-17H2,1H3",CCC=CCC=CCC=CCCCCCCCC=O,C18H30O,,262.22966558,TUCMDDWTBVMRTP,Fatty acids,Fatty acyls,Fatty aldehydes,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],0,1,3.5620150566101074
8391,1823,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ADFAUEYXQCOXBX-UHFFFAOYSA-N,"InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3",CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C14H26O10,pos_1_1proton1ethylamine,354.152597032,ADFAUEYXQCOXBX,,,,Manihot esculenta,339369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Manihoteae'],['Manihot'],['Manihot esculenta'],6,0,6.0
8392,1823,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,ADFAUEYXQCOXBX-UHFFFAOYSA-N,"InChI=1S/C14H26O10/c1-6(2)23-12-10(18)9(17)8(16)7(24-12)3-21-13-11(19)14(20,4-15)5-22-13/h6-13,15-20H,3-5H2,1-2H3",CC(C)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,C14H26O10,pos_1_1proton1ethylamine,354.152597032,ADFAUEYXQCOXBX,,,,Manihot esculenta,339369.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Manihoteae'],['Manihot'],['Manihot esculenta'],6,0,6.0
8393,1821,-1,,,,0.0,MS1_match,CARKYHOUUWSDRA-XTITWOBISA-N,"InChI=1S/C27H40O11/c1-14(7-8-28)5-4-6-15(2)18(31)13-35-19-9-16(3)21-22(19)17(10-29)12-36-26(21)38-27-25(34)24(33)23(32)20(11-30)37-27/h6-7,10,12,16,19-28,30,32-34H,4-5,8-9,11,13H2,1-3H3/b14-7+,15-6+/t16-,19-,20-,21-,22+,23-,24+,25-,26+,27+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)CO[C@@H]1C[C@@H](C)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C=O)[C@H]21,C27H40O11,pos_1_1proton1ethylamine,540.2570621,CARKYHOUUWSDRA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,0,6.0
8394,1820,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_minus1proton1iron,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,0,6.0
8395,1820,-1,,,,0.0,MS1_match,SLJTWDNVZKIDAU-SVAFSPIFSA-N,"InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1",C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C30H46O3,pos_1_minus1proton1iron,454.3446953319999,SLJTWDNVZKIDAU,Terpenoids,Triterpenoids,Lupane triterpenoids,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,0,6.0
8396,1817,-1,,,,0.0,MS1_match,SUSQOBVLVYHIEX-UHFFFAOYSA-N,"InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2",N#CCc1ccccc1,C8H7N,pos_1_1proton1acetonitrile,117.057849224,SUSQOBVLVYHIEX,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
8397,1816,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6991307,ISDB,OLPVLGPCVTYBMB-AZUAARDMSA-N,"InChI=1S/C20H24O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h6-8,11-12,18H,5,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1C=C2,C20H24O,,280.182715388,OLPVLGPCVTYBMB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Bowdichia nitida,326067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Leptolobieae'],['Bowdichia'],['Bowdichia nitida'],4,1,7.296522855758667
8398,1815,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
8399,1815,-1,,,,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
8400,1815,-1,,,,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
8401,1815,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,7.0
8402,1815,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
8403,1815,-1,,,,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
8404,1815,-1,,,,0.0,MS1_match,PJDABWGWSDUIAM-YGZRBXPVSA-N,"InChI=1S/C15H20O5/c1-7-11-9(17)5-15(2)10(18)4-3-8(6-16)12(15)13(11)20-14(7)19/h6,8-13,17-18H,1,3-5H2,2H3/t8-,9-,10+,11+,12+,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)C[C@]1(C)[C@@H]2[C@H](C=O)CC[C@H]1O,C15H20O5,pos_1_1proton1ethylamine,280.13107374,PJDABWGWSDUIAM,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea zuccariniana,3894038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea zuccariniana'],7,0,7.0
8405,1815,-1,,,,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,0,7.0
8406,1815,-1,,,,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1ethylamine,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
8407,1815,-1,,,,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1proton1ammonium,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
8408,1815,-1,,,,0.0,MS1_match,SJSPSHPVPXPTPG-UHFFFAOYSA-N,"InChI=1S/C17H27NO5/c1-4-18-15(21)13-11-10-23-17(22-3,14(11)20)12(19)8-6-5-7-9-16(13,18)2/h12,14,19-20H,4-10H2,1-3H3",CCN1C(=O)C2=C3COC(OC)(C(O)CCCCCC21C)C3O,C17H27NO5,pos_1_1proton,325.188922964,SJSPSHPVPXPTPG,,,,Cirsium arvense,591412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium arvense'],7,0,7.0
8409,1815,-1,,,,0.0,MS1_match,DUKXKHCYGRDGCW-LKJLYNOCSA-N,"InChI=1S/C17H24O5/c1-8-7-12(21-10(3)18)15(19)17(4)6-5-11-9(2)16(20)22-14(11)13(8)17/h9,11-15,19H,1,5-7H2,2-4H3/t9-,11+,12-,13+,14-,15+,17+/m0/s1",C=C1C[C@H](OC(C)=O)[C@@H](O)[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C17H24O5,pos_1_1proton1ammonium,308.162373868,DUKXKHCYGRDGCW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
8410,1815,-1,,,,0.0,MS1_match,YIRQAQBMBKUQDI-JGGVDJITSA-N,"InChI=1S/C15H20O5/c1-8-13-10(17)6-15(2)12(20-15)4-3-9(7-16)5-11(13)19-14(8)18/h5,10-13,16-17H,1,3-4,6-7H2,2H3/b9-5-/t10-,11+,12+,13+,15-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC[C@H]3O[C@@]3(C)C[C@H](O)[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,YIRQAQBMBKUQDI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea sphaerocephala,3894192.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sphaerocephala'],7,0,7.0
8411,1815,-1,,,,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ethylamine,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
8412,1812,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.4541484,ISDB,YIOUPFBHICGXGU-VLXASLQNSA-N,"InChI=1S/C18H31NO/c1-5-6-7-8-9-10-11-12-13-17-14-15-18(20-4)16(2)19(17)3/h8-13,16-18H,5-7,14-15H2,1-4H3/b9-8+,11-10+,13-12+/t16-,17+,18-/m1/s1",CCCC/C=C/C=C/C=C/[C@H]1CC[C@@H](OC)[C@@H](C)N1C,C18H31NO,,277.240564612,YIOUPFBHICGXGU,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Microcos paniculata,151053.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Microcos'],['Microcos paniculata'],6,0,7.816593647003174
8413,1811,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,OUDFNZMQXZILJD-UHFFFAOYSA-N,"InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3",Cc1ccc(C=O)o1,C6H6O2,pos_1_1proton1acetonitrile,110.036779432,OUDFNZMQXZILJD,Polyketides,Cyclic polyketides,Furans,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
8414,1810,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.39505348,ISDB,RJLAJQDKXWWUNG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-8-4-5-9(2)12-11(8)7-6-10(3)13(12)14/h4-5,10,13-14H,6-7H2,1-3H3",Cc1ccc(C)c2c1CCC(C)C2O,C13H18O,,190.135765196,RJLAJQDKXWWUNG,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,3,4.080213904380798
8415,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
8416,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
8417,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
8418,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
8419,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
8420,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
8421,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
8422,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,3,9.5
8423,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,3,9.5
8424,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,3,9.5
8425,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,3,9.5
8426,1809,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,3,9.5
8427,1808,-1,,,,0.0,MS1_match,UTOPWMOLSKOLTQ-UHFFFAOYSA-N,"InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)",CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C28H56O2,pos_1_1proton2acetonitrile,424.4280310319999,UTOPWMOLSKOLTQ,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Malvaviscus arboreus,108599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malvaviscus'],['Malvaviscus arboreus'],6,0,6.0
8428,1807,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1sodium,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
8429,1807,-1,,,,0.0,MS1_match,JDSRHVWSAMTSSN-IRQZEAMPSA-N,"InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1sodium,312.23005950399994,JDSRHVWSAMTSSN,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
8430,1807,-1,,,,0.0,MS1_match,JGUNZIWGNMQSBM-HVNNELHESA-N,"InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6?,14-11+/t17-/m1/s1",CCCCCC=C/C=C/[C@H](CCCCCCCC(=O)O)OO,C18H32O4,pos_1_1sodium,312.23005950399994,JGUNZIWGNMQSBM,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
8431,1802,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7934786,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,3,6.673914432525635
8432,1802,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7934786,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.673914432525635
8433,1802,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7934786,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.673914432525635
8434,1801,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
8435,1801,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ammonium,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,3,8.5
8436,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8437,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
8438,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)",O=C(O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
8439,1800,-1,,,,0.0,MS1_match,DJSISFGPUUYILV-YRIDSSQKSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@H]1O,C21H18O12,pos_1_1proton,462.079826016,DJSISFGPUUYILV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea depressa,39610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea depressa'],7,0,7.0
8440,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-DAZJWRSOSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21?/m0/s1",O=C(O)[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8441,1800,-1,,,,0.0,MS1_match,DJSISFGPUUYILV-YRIDSSQKSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@H]1O,C21H18O12,pos_1_1proton,462.079826016,DJSISFGPUUYILV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea depressa,39610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea depressa'],7,0,7.0
8442,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],7,0,7.0
8443,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],7,0,7.0
8444,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],7,0,7.0
8445,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8446,1800,-1,,,,0.0,MS1_match,DJSISFGPUUYILV-YRIDSSQKSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@H]1O,C21H18O12,pos_1_1proton,462.079826016,DJSISFGPUUYILV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea depressa,39610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea depressa'],7,0,7.0
8447,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8448,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-DAZJWRSOSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21?/m0/s1",O=C(O)[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8449,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hebe parviflora,513304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica parviflora'],7,0,7.0
8450,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica strictissima,5800653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica strictissima'],7,0,7.0
8451,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica traversii,5800657.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica traversii'],7,0,7.0
8452,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-ZFORQUDYSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1",O=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus var. scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8453,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-DAZJWRSOSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21?/m0/s1",O=C(O)[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8454,1800,-1,,,,0.0,MS1_match,VSUOKLTVXQRUSG-DAZJWRSOSA-N,"InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21?/m0/s1",O=C(O)[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O12,pos_1_1proton,462.0798260159997,VSUOKLTVXQRUSG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
8455,1800,-1,,,,0.0,MS1_match,UHZMYIODMYOCOG-UHFFFAOYSA-N,"InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)11-5-9(23)13-12(31-11)6-10(24)14(25)18(13)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-6,15-17,19,21-22,24-28H,(H,29,30)",O=C(O)C1OC(Oc2c(O)c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c23)C(O)C(O)C1O,C21H18O12,pos_1_1proton,462.079826016,UHZMYIODMYOCOG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Centaurea depressa,39610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea depressa'],7,0,7.0
8456,1799,-1,,,,0.0,MS1_match,LLKRJRVDKASBCG-UHFFFAOYSA-N,"InChI=1S/C19H28O3/c1-16(2)12-7-8-19-9-11(18(4)15(19)22-18)5-6-13(19)17(12,3)10-14(20)21-16/h11-13,15H,5-10H2,1-4H3",CC1(C)OC(=O)CC2(C)C1CCC13CC(CCC21)C1(C)OC31,C19H28O3,pos_1_minus1proton1iron,304.203844756,LLKRJRVDKASBCG,Terpenoids,Diterpenoids,,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
8457,1797,824,Terpenoids,Sesquiterpenoids,Serrulatane and Biflorane diterpenoids,0.58209634,ISDB,JWQVCYABIGUFIY-JENIJYKNSA-N,"InChI=1S/C20H30/c1-14(2)7-6-8-16(4)19-12-10-17(5)18-11-9-15(3)13-20(18)19/h7,9,11,13,16-17,19H,6,8,10,12H2,1-5H3/t16-,17-,19+/m0/s1",CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2ccc(C)cc21,C20H30,,270.23475096,JWQVCYABIGUFIY,Terpenoids,Diterpenoids,Serrulatane and Biflorane diterpenoids,Antillogorgia elisabethae,1079564.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Antillogorgia'],['Antillogorgia elisabethae'],2,3,5.828385353088379
8458,1795,495,Terpenoids,Steroids,Cholestane steroids,0.29041773,ISDB,SAWMHXICEQYKKZ-XCTDCHHTSA-N,"InChI=1S/C28H46O2/c1-18(2)7-8-19(3)24-11-12-25-23-10-9-21-17-22(30-20(4)29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,18-19,21-26H,9-17H2,1-6H3/b8-7+/t19-,21-,22-,23-,24+,25-,26-,27-,28-/m0/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]([C@@H](C)/C=C/C(C)C)CC[C@@H]32)C1,C28H46O2,,414.349780712,SAWMHXICEQYKKZ,Terpenoids,Steroids,Cholestane steroids,Mizuhopecten yessoensis,449027.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Bivalvia'],['Pectinida'],['Pectinidae'],['Fortipectinini'],['Mizuhopecten'],['Mizuhopecten yessoensis'],3,3,5.661670923233032
8459,1794,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67344564,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio nebrodensis,436584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nebrodensis'],6,2,9.693782567977905
8460,1794,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67344564,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio duriaei,436584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio nebrodensis'],6,2,9.693782567977905
8461,1794,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67344564,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio squalidus,436593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio squalidus'],6,2,9.693782567977905
8462,1794,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.67344564,ISDB,VKFLVDGYLNXCSO-LBPRGKRZSA-N,"InChI=1S/C14H16O/c1-10(2)12-7-6-11-4-3-5-13(9-15)14(11)8-12/h3-5,9,12H,1,6-8H2,2H3/t12-/m0/s1",C=C(C)[C@H]1CCc2cccc(C=O)c2C1,C14H16O,,200.120115132,VKFLVDGYLNXCSO,Terpenoids,Sesquiterpenoids,Noreudesmane sesquiterpenoids,Senecio lividus,962482.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio lividus'],6,2,9.693782567977905
8463,1792,-1,,,,0.0,MS1_match,VWSCEDLUJPCZIA-RKIZMODCSA-N,"InChI=1S/C31H38O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,28(18)35)39-22(5)33/h8-15,18,20,24-25,27H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24+,25-,27+,31-/m1/s1",CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C,C31H38O8,pos_1_1proton1ammonium,538.256668176,VWSCEDLUJPCZIA,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
8464,1792,-1,,,,0.0,MS1_match,NASWNOUOFKORGJ-OGFSYTLNSA-N,"InChI=1S/C31H38O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24,27-28H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20+,24-,27-,28+,31+/m0/s1",CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)C(=O)CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C31H38O8,pos_1_1proton1ammonium,538.256668176,NASWNOUOFKORGJ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
8465,1789,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Elymus repens,218255.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Elymus'],['Elymus repens'],7,1,7.5
8466,1789,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.0,MS1_match,DTOSIQBPPRVQHS-IUQGRGSQSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+",CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O,C18H30O2,pos_1_1proton1methanol,278.2245802,DTOSIQBPPRVQHS,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,1,7.5
8467,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa damascena,5146739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa x damascena'],1,3,4.559796333312988
8468,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],1,3,4.559796333312988
8469,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],1,3,4.559796333312988
8470,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Viburnum orientale,296902.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dipsacales'],['Adoxaceae'],['Unknown'],['Viburnum'],['Viburnum orientale'],1,3,4.559796333312988
8471,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus pumila,854961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus pumila'],1,3,4.559796333312988
8472,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Rosa gallica,333878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rosa'],['Rosa gallica'],1,3,4.559796333312988
8473,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],1,3,4.559796333312988
8474,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Centaurea armena,674587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea armena'],1,3,4.559796333312988
8475,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Centaurea oltensis,3894076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea oltensis'],1,3,4.559796333312988
8476,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Centaurea sessilis,7613406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea sessilis'],1,3,4.559796333312988
8477,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Chrysocephalum ambiguum,7600856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Chrysocephalum'],['Chrysocephalum ambiguum'],1,3,4.559796333312988
8478,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Helichrysum ambiguum,7601029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum ambiguum'],1,3,4.559796333312988
8479,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Sideritis amasiaca,6081576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis amasiaca'],1,3,4.559796333312988
8480,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Apium graveolens,2472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Apieae'],['Apium'],['Apium graveolens'],1,3,4.559796333312988
8481,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],1,3,4.559796333312988
8482,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],1,3,4.559796333312988
8483,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Agathosma betulina,3942511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Agathosma'],['Agathosma betulina'],1,3,4.559796333312988
8484,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],1,3,4.559796333312988
8485,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Iris germanica,3998436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Iridaceae'],['Irideae'],['Iris'],['Iris germanica'],1,3,4.559796333312988
8486,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus,208026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Unknown'],1,3,4.559796333312988
8487,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Ipomoea pes-caprae,409767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea pes-caprae'],1,3,4.559796333312988
8488,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Salvia sclarea,820648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia sclarea'],1,3,4.559796333312988
8489,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Tordylium apulum,630025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Tordylieae'],['Tordylium'],['Tordylium apulum'],1,3,4.559796333312988
8490,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Orthosiphon grandiflorus,6084701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Orthosiphon'],['Orthosiphon grandiflorus'],1,3,4.559796333312988
8491,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Mutisia friesiana,518343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Mutisia'],['Mutisia friesiana'],1,3,4.559796333312988
8492,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Vitis rotundifolia,650748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis rotundifolia'],1,3,4.559796333312988
8493,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Vitis labrusca,683964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis labrusca'],1,3,4.559796333312988
8494,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],1,3,4.559796333312988
8495,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-UHFFFAOYSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3",CC=CC(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],1,3,4.559796333312988
8496,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Cedronella canariensis,248831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cedronella'],['Cedronella canariensis'],1,3,4.559796333312988
8497,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],1,3,4.559796333312988
8498,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Sideritis hispida,6081630.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis hispida'],1,3,4.559796333312988
8499,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Hamamelis virginiana,60713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Hamamelidaceae'],['Unknown'],['Hamamelis'],['Hamamelis virginiana'],1,3,4.559796333312988
8500,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Achillea grandifolia,245232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea grandifolia'],1,3,4.559796333312988
8501,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],1,3,4.559796333312988
8502,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Aspalathus linearis,406601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Aspalathus'],['Aspalathus linearis'],1,3,4.559796333312988
8503,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Basella alba,63162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Basellaceae'],['Unknown'],['Basella'],['Basella alba'],1,3,4.559796333312988
8504,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Sideritis dichotoma,6081611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis dichotoma'],1,3,4.559796333312988
8505,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,3,4.559796333312988
8506,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Swertia japonica,774409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Gentianaceae'],['Gentianeae'],['Swertia'],['Swertia japonica'],1,3,4.559796333312988
8507,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Salvia syriaca,3882831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia syriaca'],1,3,4.559796333312988
8508,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Artemisia judaica,729282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia judaica'],1,3,4.559796333312988
8509,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Polygala senega,702770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Polygalaceae'],['Unknown'],['Polygala'],['Polygala senega'],1,3,4.559796333312988
8510,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Ocimum basilicum,305911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Ocimum'],['Ocimum basilicum'],1,3,4.559796333312988
8511,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Orthosiphon aristatus,1070846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Orthosiphon'],['Orthosiphon aristatus'],1,3,4.559796333312988
8512,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Bellis perennis,792843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Bellis'],['Bellis perennis'],1,3,4.559796333312988
8513,1788,629,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.5149491,ISDB,POIARNZEYGURDG-FNORWQNLSA-N,"InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+",C/C=C/C(=O)C1=C(C)C=CCC1(C)C,C13H18O,,190.135765196,POIARNZEYGURDG,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Malus domestica,3902985.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Malus'],['Malus domestica'],1,3,4.559796333312988
8514,1787,-1,,,,0.0,MS1_match,IBYXDWNHLOGYIN-OSVRZWSTSA-N,"InChI=1S/C27H36O4/c1-15-13-23(31-25(30)19(15)14-28)16(2)20-8-9-21-18-7-5-17-6-10-24(29)27(17,4)22(18)11-12-26(20,21)3/h5-6,10,16,18,20-23,28H,7-9,11-14H2,1-4H3/t16-,18-,20+,21-,22-,23+,26+,27-/m0/s1",CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1,C27H36O4,pos_1_1proton,424.261359632,IBYXDWNHLOGYIN,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,0,6.0
8515,1786,-1,,,,0.33676887,ISDB,AVQIAPJJWFUCIT-VOTSOKGWSA-N,"InChI=1S/C13H18O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,9H,4-5,8H2,1-3H3/b7-6+",CC1=C(/C=C/C(=O)C=O)C(C)(C)CCC1,C13H18O2,,206.130679816,AVQIAPJJWFUCIT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca rubra,202297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca rubra'],6,0,7.347075462341309
8516,1786,-1,,,,0.33676887,ISDB,AVQIAPJJWFUCIT-VOTSOKGWSA-N,"InChI=1S/C13H18O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,9H,4-5,8H2,1-3H3/b7-6+",CC1=C(/C=C/C(=O)C=O)C(C)(C)CCC1,C13H18O2,,206.130679816,AVQIAPJJWFUCIT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca arundinacea,105576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca arundinacea'],6,0,7.347075462341309
8517,1784,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_1_1sodium,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
8518,1784,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_1_1sodium,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
8519,1782,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,NGIPQJRSYHCOJC-LMDXJSSXSA-N,"InChI=1S/C22H32O6/c1-13-17(27-14(2)24)10-20(3)18(5-6-19-21(20,4)28-19)22(13,12-23)9-16(25)15-7-8-26-11-15/h7-8,11,13,16-19,23,25H,5-6,9-10,12H2,1-4H3/t13-,16+,17+,18+,19?,20-,21+,22-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CCC3O[C@]32C)[C@](CO)(C[C@@H](O)c2ccoc2)[C@H]1C,C22H32O6,pos_2MFe,392.219888744,NGIPQJRSYHCOJC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Croton nitens,939537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton nitens'],6,3,7.5
8520,1782,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,NGIPQJRSYHCOJC-VZPLLEKCSA-N,"InChI=1S/C22H32O6/c1-13-17(27-14(2)24)10-20(3)18(5-6-19-21(20,4)28-19)22(13,12-23)9-16(25)15-7-8-26-11-15/h7-8,11,13,16-19,23,25H,5-6,9-10,12H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-,22-/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@](CO)(C[C@@H](O)c2ccoc2)[C@@H]1C,C22H32O6,pos_2MFe,392.2198887439999,NGIPQJRSYHCOJC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,3,7.5
8521,1782,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,NGIPQJRSYHCOJC-LMDXJSSXSA-N,"InChI=1S/C22H32O6/c1-13-17(27-14(2)24)10-20(3)18(5-6-19-21(20,4)28-19)22(13,12-23)9-16(25)15-7-8-26-11-15/h7-8,11,13,16-19,23,25H,5-6,9-10,12H2,1-4H3/t13-,16+,17+,18+,19?,20-,21+,22-/m0/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CCC3O[C@]32C)[C@](CO)(C[C@@H](O)c2ccoc2)[C@H]1C,C22H32O6,pos_2MFe,392.219888744,NGIPQJRSYHCOJC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Croton nitens,939537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton nitens'],6,3,7.5
8522,1782,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,NGIPQJRSYHCOJC-VZPLLEKCSA-N,"InChI=1S/C22H32O6/c1-13-17(27-14(2)24)10-20(3)18(5-6-19-21(20,4)28-19)22(13,12-23)9-16(25)15-7-8-26-11-15/h7-8,11,13,16-19,23,25H,5-6,9-10,12H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-,22-/m1/s1",CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H]3O[C@]32C)[C@@](CO)(C[C@@H](O)c2ccoc2)[C@@H]1C,C22H32O6,pos_2MFe,392.2198887439999,NGIPQJRSYHCOJC,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,3,7.5
8523,1781,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.0,MS1_match,NQACTVWQBJPZMD-LCLWHQSOSA-N,"InChI=1S/C18H29NO5/c1-6-11(4)18(22)23-12-8-13-16(21)17(14(9-12)19(13)5)24-15(20)7-10(2)3/h6,10,12-14,16-17,21H,7-9H2,1-5H3/b11-6+/t12-,13?,14?,16?,17?/m0/s1",C/C=C(\C)C(=O)O[C@H]1CC2C(O)C(OC(=O)CC(C)C)C(C1)N2C,C18H29NO5,pos_1_1proton,339.204573028,NQACTVWQBJPZMD,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,2,7.0
8524,1781,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.0,MS1_match,NQACTVWQBJPZMD-KLAIAYPRSA-N,"InChI=1S/C18H29NO5/c1-6-11(4)18(22)23-12-8-13-16(21)17(14(9-12)19(13)5)24-15(20)7-10(2)3/h6,10,12-14,16-17,21H,7-9H2,1-5H3/b11-6+/t12-,13-,14+,16-,17+/m1/s1",C/C=C(\C)C(=O)O[C@@H]1C[C@@H]2[C@@H](O)[C@@H](OC(=O)CC(C)C)[C@H](C1)N2C,C18H29NO5,pos_1_1proton,339.204573028,NQACTVWQBJPZMD,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Brugmansia sanguinea,445285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Brugmansia'],['Brugmansia sanguinea'],6,2,7.0
8525,1778,-1,,,,0.0,MS1_match,OJIJRLSRFSISSF-YUKCJYJJSA-N,"InChI=1S/C16H28O7/c1-9-3-4-16(2,6-10(18)5-9)8-22-15-14(21)13(20)12(19)11(7-17)23-15/h9,11-15,17,19-21H,3-8H2,1-2H3/t9-,11-,12-,13+,14-,15-,16-/m1/s1",C[C@@H]1CC[C@@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)C1,C16H28O7,pos_1_1sodium,332.183503236,OJIJRLSRFSISSF,Terpenoids,Monoterpenoids,,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],8,0,8.0
8526,1778,-1,,,,0.0,MS1_match,OJIJRLSRFSISSF-YUKCJYJJSA-N,"InChI=1S/C16H28O7/c1-9-3-4-16(2,6-10(18)5-9)8-22-15-14(21)13(20)12(19)11(7-17)23-15/h9,11-15,17,19-21H,3-8H2,1-2H3/t9-,11-,12-,13+,14-,15-,16-/m1/s1",C[C@@H]1CC[C@@](C)(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(=O)C1,C16H28O7,pos_1_1sodium,332.183503236,OJIJRLSRFSISSF,Terpenoids,Monoterpenoids,,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],8,0,8.0
8527,1775,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.2748919,ISDB,IDNFDNMPJCCARF-JVNHZCFISA-N,"InChI=1S/C18H31NO6/c20-9-2-1-4-11-5-3-6-14(22)12(11)7-8-15(23)16-18(25)17(24)13(10-21)19-16/h13,15-21,23-25H,1-10H2/t13-,15-,16-,17-,18-/m1/s1",O=C1CCCC(CCCCO)=C1CC[C@@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O,C18H31NO6,,357.215137712,IDNFDNMPJCCARF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia kazinoki,734176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia kazinoki'],4,2,6.099567651748657
8528,1775,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.2748919,ISDB,IDNFDNMPJCCARF-UHFFFAOYSA-N,"InChI=1S/C18H31NO6/c20-9-2-1-4-11-5-3-6-14(22)12(11)7-8-15(23)16-18(25)17(24)13(10-21)19-16/h13,15-21,23-25H,1-10H2",O=C1CCCC(CCCCO)=C1CCC(O)C1NC(CO)C(O)C1O,C18H31NO6,,357.215137712,IDNFDNMPJCCARF,Alkaloids,Ornithine alkaloids,Pyrrolidine alkaloids,Broussonetia papyrifera,311274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Broussonetia'],['Broussonetia papyrifera'],4,2,6.099567651748657
8529,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,YIBWIRUWDREGPY-AENKIQNESA-N,"InChI=1S/C21H36O5/c1-12-7-6-8-13(2)21(12)10-9-15(11-21)20(4,5)26-19-18(24)17(23)16(22)14(3)25-19/h7,13-19,22-24H,6,8-11H2,1-5H3/t13-,14-,15+,16+,17+,18-,19+,21-/m1/s1",CC1=CCC[C@@H](C)[C@@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O5,pos_2MFe,368.256274252,YIBWIRUWDREGPY,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,2,8.0
8530,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,ADTKBYFVTQHAKW-SUTVCERISA-N,"InChI=1S/C21H36O5/c1-12(2)14-7-10-20(4)8-6-9-21(5,15(20)11-14)26-19-18(24)17(23)16(22)13(3)25-19/h13-19,22-24H,1,6-11H2,2-5H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1",C=C(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@H]2C1,C21H36O5,pos_2MFe,368.2562742519999,ADTKBYFVTQHAKW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,2,8.0
8531,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QKXSRJAHTPTJNG-QPYXYYCYSA-N,"InChI=1S/C21H36O5/c1-12-7-6-9-21(5)10-8-14(11-15(12)21)20(3,4)26-19-18(24)17(23)16(22)13(2)25-19/h13-14,16-19,22-24H,6-11H2,1-5H3/t13-,14-,16+,17+,18-,19+,21+/m1/s1",CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)CCC1,C21H36O5,pos_2MFe,368.256274252,QKXSRJAHTPTJNG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Carthamus arborescens,180785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Phonus'],['Phonus arborescens'],7,2,8.0
8532,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QZHVNXNQIQXHJI-XITMGRHOSA-N,"InChI=1S/C21H36O5/c1-13(2)7-6-12-21(5,16-10-8-14(3)9-11-16)26-20-19(24)18(23)17(22)15(4)25-20/h7-8,15-20,22-24H,6,9-12H2,1-5H3/t15-,16-,17+,18+,19-,20+,21+/m1/s1",CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)CC1,C21H36O5,pos_2MFe,368.2562742519999,QZHVNXNQIQXHJI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,2,8.0
8533,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QZHVNXNQIQXHJI-XITMGRHOSA-N,"InChI=1S/C21H36O5/c1-13(2)7-6-12-21(5,16-10-8-14(3)9-11-16)26-20-19(24)18(23)17(22)15(4)25-20/h7-8,15-20,22-24H,6,9-12H2,1-5H3/t15-,16-,17+,18+,19-,20+,21+/m1/s1",CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)CC1,C21H36O5,pos_2MFe,368.2562742519999,QZHVNXNQIQXHJI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,2,8.0
8534,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QKXSRJAHTPTJNG-QPYXYYCYSA-N,"InChI=1S/C21H36O5/c1-12-7-6-9-21(5)10-8-14(11-15(12)21)20(3,4)26-19-18(24)17(23)16(22)13(2)25-19/h13-14,16-19,22-24H,6-11H2,1-5H3/t13-,14-,16+,17+,18-,19+,21+/m1/s1",CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)CCC1,C21H36O5,pos_2MFe,368.256274252,QKXSRJAHTPTJNG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Phonus arborescens,180785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Phonus'],['Phonus arborescens'],7,2,8.0
8535,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QZHVNXNQIQXHJI-XITMGRHOSA-N,"InChI=1S/C21H36O5/c1-13(2)7-6-12-21(5,16-10-8-14(3)9-11-16)26-20-19(24)18(23)17(22)15(4)25-20/h7-8,15-20,22-24H,6,9-12H2,1-5H3/t15-,16-,17+,18+,19-,20+,21+/m1/s1",CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)CC1,C21H36O5,pos_2MFe,368.2562742519999,QZHVNXNQIQXHJI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Carthamus lanatus,1066138.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus lanatus'],7,2,8.0
8536,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,QZHVNXNQIQXHJI-XITMGRHOSA-N,"InChI=1S/C21H36O5/c1-13(2)7-6-12-21(5,16-10-8-14(3)9-11-16)26-20-19(24)18(23)17(22)15(4)25-20/h7-8,15-20,22-24H,6,9-12H2,1-5H3/t15-,16-,17+,18+,19-,20+,21+/m1/s1",CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1CC=C(C)CC1,C21H36O5,pos_2MFe,368.2562742519999,QZHVNXNQIQXHJI,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Carthamus glaucus,139988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus glaucus'],7,2,8.0
8537,1774,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,YIBWIRUWDREGPY-AENKIQNESA-N,"InChI=1S/C21H36O5/c1-12-7-6-8-13(2)21(12)10-9-15(11-21)20(4,5)26-19-18(24)17(23)16(22)14(3)25-19/h7,13-19,22-24H,6,8-11H2,1-5H3/t13-,14-,15+,16+,17+,18-,19+,21-/m1/s1",CC1=CCC[C@@H](C)[C@@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2,C21H36O5,pos_2MFe,368.256274252,YIBWIRUWDREGPY,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,2,8.0
8538,1772,456,Fatty acids,Fatty Acids and Conjugates,Heterocyclic fatty acids,0.28825632,ISDB,YOARHWRAPPIWLA-UHFFFAOYSA-N,"InChI=1S/C19H32O3/c1-5-6-9-12-17-15(2)16(3)18(22-17)13-10-7-8-11-14-19(20)21-4/h5-14H2,1-4H3",CCCCCc1oc(CCCCCCC(=O)OC)c(C)c1C,C19H32O3,,308.235144884,YOARHWRAPPIWLA,Fatty acids,Fatty Acids and Conjugates,Heterocyclic fatty acids,Procambarus clarkii,79864.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Malacostraca'],['Decapoda'],['Cambaridae'],['Unknown'],['Procambarus'],['Procambarus clarkii'],2,3,4.653025269508362
8539,1768,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.5592888,ISDB,QWUWMCYKGHVNAV-UHFFFAOYSA-N,"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",c1ccc(CCc2ccccc2)cc1,C14H14,,182.109550448,QWUWMCYKGHVNAV,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Bletilla striata,147334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Arethuseae'],['Bletilla'],['Bletilla striata'],4,0,6.237155199050903
8540,1768,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.5592888,ISDB,QWUWMCYKGHVNAV-UHFFFAOYSA-N,"InChI=1S/C14H14/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H,11-12H2",c1ccc(CCc2ccccc2)cc1,C14H14,,182.109550448,QWUWMCYKGHVNAV,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Dioscorea alata,46971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Dioscoreales'],['Dioscoreaceae'],['Unknown'],['Dioscorea'],['Dioscorea alata'],4,0,6.237155199050903
8541,1767,-1,,,,0.64629847,ISDB,OGGRSJFVXREKOR-CIUDSAMLSA-N,"InChI=1S/C11H22N2O3S/c1-4-7(2)9(11(15)16)13-10(14)8(12)5-6-17-3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCSC)C(=O)O,C11H22N2O3S,,262.135113564,OGGRSJFVXREKOR,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,0,6.585193872451782
8542,1765,-1,,,,0.6003138,ISDB,,,,,,,PARCYOHVCUKSCA,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4012551307678223
8543,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
8544,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
8545,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
8546,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
8547,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
8548,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
8549,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
8550,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
8551,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
8552,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
8553,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
8554,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
8555,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
8556,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
8557,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
8558,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
8559,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,0,8.0
8560,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
8561,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
8562,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
8563,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
8564,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
8565,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
8566,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
8567,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
8568,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
8569,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
8570,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
8571,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
8572,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
8573,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
8574,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
8575,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
8576,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
8577,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
8578,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1sodium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
8579,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,0,8.0
8580,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
8581,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
8582,1764,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1sodium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
8583,1763,-1,,,,0.5949449,ISDB,PSJUKNBMBYBQSO-IKKZXAHCSA-N,"InChI=1S/C13H18O/c1-8-3-4-11-12(14)9(2)10-5-6-13(8,11)7-10/h8,10-11H,2-7H2,1H3/t8-,10+,11?,13-/m0/s1",C=C1C(=O)C2CC[C@H](C)[C@@]23CC[C@@H]1C3,C13H18O,,190.135765196,PSJUKNBMBYBQSO,Terpenoids,Sesquiterpenoids,,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],6,0,8.379779577255249
8584,1762,-1,,,,0.3621818,ISDB,XGNGWQYOWZJAJF-UHFFFAOYSA-N,"InChI=1S/C21H23NO5/c1-26-19-16-15(18(24)21(25)22-16)14(17(23)20(19)27-2)12-8-4-7-11-13-9-5-3-6-10-13/h3,5-6,9-10,23H,4,7-8,11-12H2,1-2H3,(H,22,24,25)",COc1c(O)c(CCCCCc2ccccc2)c2c(c1OC)NC(=O)C2=O,C21H23NO5,,369.157622836,XGNGWQYOWZJAJF,Alkaloids,,,Melochia tomentosa,803880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Melochia'],['Melochia tomentosa'],4,0,5.448727250099182
8585,1761,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.25614017,ISDB,VJSCHQMOTSXAKB-UHFFFAOYSA-N,"InChI=1S/C18H19NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)",COc1cc(C=CC(=O)NCC(O)c2ccc(O)cc2)ccc1O,C18H19NO5,,329.126322708,VJSCHQMOTSXAKB,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,11.024560689926147
8586,1760,-1,,,,0.0,MS1_match,YOYRSOYUXNJBMN-SBFVYLSTSA-N,"InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C,C40H52O4,pos_2_2proton,596.386560144,YOYRSOYUXNJBMN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
8587,1759,-1,,,,0.9514882,ISDB,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,0,11.805952787399292
8588,1759,-1,,,,0.9514882,ISDB,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,0,11.805952787399292
8589,1759,-1,,,,0.9514882,ISDB,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,0,11.805952787399292
8590,1759,-1,,,,0.9514882,ISDB,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,0,11.805952787399292
8591,1759,-1,,,,0.9514882,ISDB,FOHXFLPXBUAOJM-QUCXHVEGSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,11.805952787399292
8592,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Notobasis syriaca,25040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Notobasis'],['Notobasis syriaca'],7,3,8.5
8593,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
8594,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,3,8.5
8595,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea tougourensis,3894115.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea tougourensis'],7,3,8.5
8596,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Echinops echinatus,963640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops echinatus'],7,3,8.5
8597,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea urvillei,7613492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea urvillei'],7,3,8.5
8598,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea raphanina,262337.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea raphanina'],7,3,8.5
8599,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,3,8.5
8600,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Psephellus huber-morathii,3894439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus huber-morathii'],7,3,8.5
8601,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,3,8.5
8602,1758,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,IYRMWMYZSQPJKC-UHFFFAOYSA-N,"InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H",O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,C15H10O6,pos_1_1proton,286.04773804,IYRMWMYZSQPJKC,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Centaurea cuneifolia,992160.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cuneifolia'],7,3,8.5
8603,1756,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1proton1ammonium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
8604,1756,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JNNGEAWILNVFFD-OZFVSFPVSA-N,"InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H24O10,pos_1_1proton1ammonium,376.1369469679999,JNNGEAWILNVFFD,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,3,9.5
8605,1753,-1,,,,0.7779323,ISDB,RAFZYSUICBQABU-PYDDKJGSSA-N,"InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+/t18-,19-/m1/s1",C/C(=C\C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C20H38O,,294.292265836,RAFZYSUICBQABU,Terpenoids,Diterpenoids,Phytane diterpenoids,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],1,0,4.111729145050049
8606,1753,-1,,,,0.7779323,ISDB,RAFZYSUICBQABU-PFIWFTBQSA-N,"InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+/t18-,19-/m0/s1",C/C(=C\C=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C,C20H38O,,294.292265836,RAFZYSUICBQABU,Terpenoids,Diterpenoids,Phytane diterpenoids,Tetragonia tetragonoides,744044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Aizoaceae'],['Unknown'],['Tetragonia'],['Tetragonia tetragonoides'],1,0,4.111729145050049
8607,1753,-1,,,,0.7779323,ISDB,RAFZYSUICBQABU-PYDDKJGSSA-N,"InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+/t18-,19-/m1/s1",C/C(=C\C=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C,C20H38O,,294.292265836,RAFZYSUICBQABU,Terpenoids,Diterpenoids,Phytane diterpenoids,Tetragonia tetragonioides,744044.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Aizoaceae'],['Unknown'],['Tetragonia'],['Tetragonia tetragonoides'],1,0,4.111729145050049
8608,1750,-1,,,,0.0,MS1_match,UWBKEKWTUMGDCN-UHFFFAOYSA-N,"InChI=1S/C22H20O13/c1-32-19-13(34-22-18(29)16(27)17(28)20(35-22)21(30)31)6-12-14(15(19)26)10(25)5-11(33-12)7-2-3-8(23)9(24)4-7/h2-6,16-18,20,22-24,26-29H,1H3,(H,30,31)",COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,C22H20O13,pos_1_1proton,492.0903907,UWBKEKWTUMGDCN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,0,6.0
8609,1750,-1,,,,0.0,MS1_match,UWBKEKWTUMGDCN-UHFFFAOYSA-N,"InChI=1S/C22H20O13/c1-32-19-13(34-22-18(29)16(27)17(28)20(35-22)21(30)31)6-12-14(15(19)26)10(25)5-11(33-12)7-2-3-8(23)9(24)4-7/h2-6,16-18,20,22-24,26-29H,1H3,(H,30,31)",COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O,C22H20O13,pos_1_1proton,492.0903907,UWBKEKWTUMGDCN,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,0,6.0
8610,1750,-1,,,,0.0,MS1_match,SCUOFHFSRPWCKS-WHZJULEDSA-N,"InChI=1S/C22H20O13/c1-32-11-4-7(2-3-8(11)23)10-5-9(24)14-12(33-10)6-13(15(25)16(14)26)34-22(31)20-18(28)17(27)19(29)21(30)35-20/h2-6,17-21,23,25-30H,1H3/t17-,18-,19+,20-,21-/m0/s1",COc1cc(-c2cc(=O)c3c(O)c(O)c(OC(=O)[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)cc3o2)ccc1O,C22H20O13,pos_1_1proton,492.0903907,SCUOFHFSRPWCKS,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
8611,1750,-1,,,,0.0,MS1_match,XMUSFCCVYDPKCR-NTKSAMNMSA-N,"InChI=1S/C22H20O13/c1-32-13-4-7(2-3-8(13)23)12-6-10(25)14-9(24)5-11(26)18(19(14)33-12)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3o2)ccc1O,C22H20O13,pos_1_1proton,492.0903907,XMUSFCCVYDPKCR,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
8612,1750,-1,,,,0.0,MS1_match,BWMDGCXULMGOMQ-QIBQCXCESA-N,"InChI=1S/C22H20O13/c1-32-13-4-7(2-3-8(13)23)12-6-10(25)14-9(24)5-11(26)18(19(14)33-12)34-22(31)20-16(28)15(27)17(29)21(30)35-20/h2-6,15-17,20-21,23-24,26-30H,1H3/t15-,16-,17+,20-,21-/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)c(OC(=O)[C@H]4O[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)c3o2)ccc1O,C22H20O13,pos_1_1proton,492.0903907,BWMDGCXULMGOMQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
8613,1747,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LHMSJZLSCNPWNJ-MOXIDHPQSA-N,"InChI=1S/C33H40O20/c1-9-21(38)25(42)29(46)32(49-9)48-8-18-23(40)27(44)30(47)33(53-18)52-16-6-15-19(13(37)5-14(50-15)10-2-3-11(35)12(36)4-10)24(41)20(16)31-28(45)26(43)22(39)17(7-34)51-31/h2-6,9,17-18,21-23,25-36,38-47H,7-8H2,1H3/t9-,17+,18+,21-,22+,23+,25+,26-,27-,28+,29+,30+,31-,32+,33+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C33H40O20,pos_1_1proton,756.21129368,LHMSJZLSCNPWNJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
8614,1746,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,AVKVSPVJSULWPS-JNFWLDLMSA-N,"InChI=1S/C31H42O8/c1-15-10-23(38-27(34)16(15)2)17(3)21-12-26(37-18(4)32)31(35)22-13-25-30(39-25)14-19(36-7)11-24(33)29(30,6)20(22)8-9-28(21,31)5/h12,17,19-20,22-23,25-26,35H,8-11,13-14H2,1-7H3/t17-,19-,20-,22+,23+,25+,26-,28+,29-,30+,31-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)C([C@H](C)[C@H]5CC(C)=C(C)C(=O)O5)=C[C@H](OC(C)=O)[C@@]4(O)[C@@H]3C[C@H]3O[C@]32C1,C31H42O8,pos_2MFe,542.2879683039998,AVKVSPVJSULWPS,Terpenoids,Steroids,Ergostane steroids,Physalis angulata,12537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis angulata'],6,3,7.5
8615,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1sodium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
8616,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1sodium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
8617,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
8618,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
8619,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
8620,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1sodium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
8621,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
8622,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
8623,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
8624,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
8625,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1sodium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
8626,1743,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1sodium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
8627,1741,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NSOHGASIQJMBNH-PNVDWLOQSA-N,"InChI=1S/C30H34O17/c1-10-21(34)25(38)27(40)29(43-10)47-28-26(39)23(36)19(9-42-11(2)31)46-30(28)45-18-8-17-20(24(37)22(18)35)14(33)7-16(44-17)12-4-5-15(41-3)13(32)6-12/h4-8,10,19,21,23,25-30,32,34-40H,9H2,1-3H3/t10-,19-,21+,23+,25-,26+,27+,28+,29+,30-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@@H]4O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](C)[C@H](O)[C@@H](O)[C@@H]4O)cc3o2)cc1O,C30H34O17,pos_1_1proton,666.179599628,NSOHGASIQJMBNH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],7,2,8.0
8628,1741,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NSOHGASIQJMBNH-YPPNZWLASA-N,"InChI=1S/C30H34O17/c1-10-21(34)25(38)27(40)29(43-10)47-28-26(39)23(36)19(9-42-11(2)31)46-30(28)45-18-8-17-20(24(37)22(18)35)14(33)7-16(44-17)12-4-5-15(41-3)13(32)6-12/h4-8,10,19,21,23,25-30,32,34-40H,9H2,1-3H3/t10-,19-,21-,23-,25+,26+,27-,28-,29+,30-/m0/s1",COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@H]4O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]4O[C@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]4O)cc3o2)cc1O,C30H34O17,pos_1_1proton,666.179599628,NSOHGASIQJMBNH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],7,2,8.0
8629,1741,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,NXDNDRJNQJPXGJ-VNXFZGFBSA-N,"InChI=1S/C30H34O17/c1-11(32)42-10-19-22(36)24(38)26(40)29(46-19)47-28-25(39)21(35)18(9-31)45-30(28)44-17-8-15(34)20-14(33)7-16(43-27(20)23(17)37)12-3-5-13(41-2)6-4-12/h3-8,18-19,21-22,24-26,28-31,34-40H,9-10H2,1-2H3/t18-,19-,21-,22-,24-,25+,26-,28-,29+,30-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]4O)c(O)c3o2)cc1,C30H34O17,pos_1_1proton,666.179599628,NXDNDRJNQJPXGJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],7,2,8.0
8630,1740,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ammonium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
8631,1740,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ammonium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
8632,1732,544,Carbohydrates,Polyols,Amino cyclitols,0.0,MS1_match,DXLUNIWVHZZSPK-WDCZJNDASA-N,"InChI=1S/C6H11NO2/c1-3-4(2)9-6(8)5(3)7/h3-5H,7H2,1-2H3/t3-,4-,5+/m1/s1",C[C@H]1[C@H](N)C(=O)O[C@@H]1C,C6H11NO2,pos_1_1proton1methanol,129.078978592,DXLUNIWVHZZSPK,,,,Quararibea funebris,5762173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Quararibea'],['Quararibea funebris'],6,0,6.0
8633,1731,510,Fatty acids,Fatty acyls,Fatty alcohols,0.35127285,ISDB,QZOMSTWCVSLZGH-UHFFFAOYSA-N,"InChI=1S/C22H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,18-19,23H,5-10,15-17,22H2",C#CC=CCCCCCCC#CC#CCCCC=CC#CCO,C22H26O,,306.198365452,QZOMSTWCVSLZGH,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],1,3,3.905091404914856
8634,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
8635,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza perennis,712343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza perennis'],6,0,6.0
8636,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza brachyantha,709900.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza brachyantha'],6,0,6.0
8637,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza latifolia,709882.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza latifolia'],6,0,6.0
8638,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza australiensis,709898.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza australiensis'],6,0,6.0
8639,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza minuta,883511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza minuta'],6,0,6.0
8640,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza grandiglumis,712345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza grandiglumis'],6,0,6.0
8641,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza punctata,709892.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza punctata'],6,0,6.0
8642,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza alta,97214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza alta'],6,0,6.0
8643,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza officinalis,709884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza officinalis'],6,0,6.0
8644,1727,-1,,,,0.0,MS1_match,DEFJQIDDEAULHB-QWWZWVQMSA-N,"InChI=1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m1/s1",C[C@@H](N)C(=O)N[C@H](C)C(=O)O,C6H12N2O3,pos_2MHCH3CN,160.084792244,DEFJQIDDEAULHB,Amino acids and Peptides,Small peptides,Dipeptides,Oryza glaberrima,709876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza glaberrima'],6,0,6.0
8645,1725,978,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.44435012,ISDB,RGHHSNMVTDWUBI-UHFFFAOYSA-N,"InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H",O=Cc1ccc(O)cc1,C7H6O2,,122.036779432,RGHHSNMVTDWUBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],7,3,10.277400493621826
8646,1724,-1,,,,0.0,MS1_match,DTLZVKJKMNBRJD-WHJZDFTQSA-N,"InChI=1S/C21H30O10/c1-11(4-5-21(28)19(2)7-12(23)8-20(21,3)29-10-19)6-14(24)31-18-17(27)16(26)15(25)13(9-22)30-18/h4-6,13,15-18,22,25-28H,7-10H2,1-3H3/b5-4+,11-6-/t13-,15-,16+,17-,18+,19-,20-,21+/m1/s1",CC(=C/C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2,C21H30O10,pos_1_1proton1methanol,442.1838971599999,DTLZVKJKMNBRJD,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
8647,1722,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.7967501,ISDB,DCVUNQKEVPAWQP-UHFFFAOYSA-N,"InChI=1S/C24H37NO2/c1-16(2)18-8-11-22(3)17-7-12-23-10-5-6-19(23)24(22,13-9-20(26)27-4)21(18)25(14-17)15-23/h6,16-18,21H,5,7-15H2,1-4H3",COC(=O)CCC12C3=CCCC34CCC3CN(C4)C1C(C(C)C)CCC32C,C24H37NO2,,371.282429424,DCVUNQKEVPAWQP,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,Daphniphyllum teijsmannii,6043925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Daphniphyllaceae'],['Unknown'],['Daphniphyllum'],['Daphniphyllum teijsmannii'],1,3,5.687000513076782
8648,1721,-1,,,,0.0,MS1_match,KTROAXMUYHQRSZ-GZFXCQGHSA-N,"InChI=1S/C20H29NO5/c1-11-5-6-15(22)20(2)8-7-12-13(19(25)26-17(12)16(11)20)10-21-9-3-4-14(21)18(23)24/h12-17,22H,1,3-10H2,2H3,(H,23,24)/t12-,13-,14-,15+,16+,17-,20-/m0/s1",C=C1CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@H]3C(=O)O)[C@@H]12,C20H29NO5,pos_1_minus1proton1magnesium,363.204573028,KTROAXMUYHQRSZ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
8649,1721,-1,,,,0.0,MS1_match,KTROAXMUYHQRSZ-GZFXCQGHSA-N,"InChI=1S/C20H29NO5/c1-11-5-6-15(22)20(2)8-7-12-13(19(25)26-17(12)16(11)20)10-21-9-3-4-14(21)18(23)24/h12-17,22H,1,3-10H2,2H3,(H,23,24)/t12-,13-,14-,15+,16+,17-,20-/m0/s1",C=C1CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@H]3C(=O)O)[C@@H]12,C20H29NO5,pos_1_minus1proton1magnesium,363.204573028,KTROAXMUYHQRSZ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
8650,1721,-1,,,,0.0,MS1_match,KTROAXMUYHQRSZ-GZFXCQGHSA-N,"InChI=1S/C20H29NO5/c1-11-5-6-15(22)20(2)8-7-12-13(19(25)26-17(12)16(11)20)10-21-9-3-4-14(21)18(23)24/h12-17,22H,1,3-10H2,2H3,(H,23,24)/t12-,13-,14-,15+,16+,17-,20-/m0/s1",C=C1CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)[C@H]3CN3CCC[C@H]3C(=O)O)[C@@H]12,C20H29NO5,pos_1_minus1proton1magnesium,363.204573028,KTROAXMUYHQRSZ,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
8651,1720,161,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Euphorbia lagascae,22595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lagascae'],8,0,8.0
8652,1720,161,Carbohydrates,Saccharides,Monosaccharides,0.0,MS1_match,OLNJUISKUQQNIM-UHFFFAOYSA-N,"InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H",O=Cc1c[nH]c2ccccc12,C9H7NO,pos_1_1proton,145.052763844,OLNJUISKUQQNIM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Euphorbia hirsuta,634791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirsuta'],8,0,8.0
8653,1719,-1,,,,0.0,MS1_match,OLLHYYCQHNBTQC-UHFFFAOYSA-N,"InChI=1S/C17H14O3/c18-14-7-4-8-16-17(14)15(19)11-13(20-16)10-9-12-5-2-1-3-6-12/h1-8,11,18H,9-10H2",O=c1cc(CCc2ccccc2)oc2cccc(O)c12,C17H14O3,pos_1_1proton1dmso,266.09429430800003,OLLHYYCQHNBTQC,Polyketides,Chromanes,Chromones,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,0,6.0
8654,1719,-1,,,,0.0,MS1_match,QUKMQOBHQMWLLR-UHFFFAOYSA-N,"InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)",O=C(O)C(O)CCNC(CCNC(CCO)C(=O)O)C(=O)O,C12H22N2O8,pos_1_minus1proton1magnesium,322.137615664,QUKMQOBHQMWLLR,Amino acids and Peptides,Small peptides,Aminoacids,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,0,6.0
8655,1717,-1,,,,0.0,MS1_match,DMLHPCALHMPJHS-UHFFFAOYSA-N,"InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3",CC(=O)c1c(C)cc2cccc(O)c2c1O,C13H12O3,pos_1_1proton1dmso,216.078644244,DMLHPCALHMPJHS,Polyketides,Naphthalenes,Naphthalenes and derivatives,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
8656,1717,-1,,,,0.0,MS1_match,DMLHPCALHMPJHS-UHFFFAOYSA-N,"InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3",CC(=O)c1c(C)cc2cccc(O)c2c1O,C13H12O3,pos_1_1proton1dmso,216.078644244,DMLHPCALHMPJHS,Polyketides,Naphthalenes,Naphthalenes and derivatives,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
8657,1717,-1,,,,0.0,MS1_match,DMLHPCALHMPJHS-UHFFFAOYSA-N,"InChI=1S/C13H12O3/c1-7-6-9-4-3-5-10(15)12(9)13(16)11(7)8(2)14/h3-6,15-16H,1-2H3",CC(=O)c1c(C)cc2cccc(O)c2c1O,C13H12O3,pos_1_1proton1dmso,216.078644244,DMLHPCALHMPJHS,Polyketides,Naphthalenes,Naphthalenes and derivatives,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
8658,1715,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91347533,ISDB,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia amygdaloides,871278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia amygdaloides'],7,3,12.15390133857727
8659,1715,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91347533,ISDB,FTVWIRXFELQLPI-UHFFFAOYSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2",O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,12.15390133857727
8660,1715,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.91347533,ISDB,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,12.15390133857727
8661,1714,-1,,,,0.0,MS1_match,HFWFMXHILGQMNK-BZUYBMRVSA-N,"InChI=1S/C26H40O4/c1-15-23-21(30-26(15)9-4-5-11-29-26)13-20-18-7-6-16-12-17(27)8-10-24(16,2)19(18)14-22(28)25(20,23)3/h6,15,17-23,27-28H,4-5,7-14H2,1-3H3/t15-,17-,18+,19-,20-,21-,22+,23-,24-,25+,26+/m0/s1",C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CCCCO2,C26H40O4,pos_1_minus1proton1iron,416.2926597599999,HFWFMXHILGQMNK,Terpenoids,Steroids,Spirostane steroids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
8662,1708,333,Terpenoids,Sesquiterpenoids,Quassinoids,0.0,MS1_match,KWSCHTSFNFDQSG-IPAGGVPOSA-N,"InChI=1S/C40H58O15/c1-16-12-24(17(2)21-6-7-22-19-13-28-40(55-28)27(43)9-8-26(42)39(40,5)23(19)10-11-38(21,22)4)52-35(49)20(16)15-50-36-33(48)31(46)34(25(14-41)53-36)54-37-32(47)30(45)29(44)18(3)51-37/h8-9,17-19,21-25,27-34,36-37,41,43-48H,6-7,10-15H2,1-5H3/t17-,18-,19-,21+,22-,23-,24+,25+,27-,28+,29-,30+,31+,32+,33+,34+,36+,37-,38+,39-,40+/m0/s1",CC1=C(CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1,C40H58O15,pos_2_1magnesium,778.377571156,KWSCHTSFNFDQSG,Terpenoids,Steroids,Ergostane steroids,Physalis longifolia,179319.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis longifolia'],6,1,6.5
8663,1707,-1,,,,0.0,MS1_match,CKLMBUIIPNQRLI-DJSJNSIOSA-N,"InChI=1S/C32H38O18/c1-43-15-4-2-14(3-5-15)17-8-44-19-7-16(6-18(34)21(19)22(17)35)49-28-25(38)24(37)23(36)20(50-28)9-45-29-27(40)32(42,12-47-29)13-48-30-26(39)31(41,10-33)11-46-30/h2-8,20,23-30,33-34,36-42H,9-13H2,1H3/t20-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C32H38O18,pos_2_2proton2acetonitrile,710.2058143760003,CKLMBUIIPNQRLI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Solanum crinitum,836460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crinitum'],8,0,8.0
8664,1707,-1,,,,0.0,MS1_match,CKLMBUIIPNQRLI-DJSJNSIOSA-N,"InChI=1S/C32H38O18/c1-43-15-4-2-14(3-5-15)17-8-44-19-7-16(6-18(34)21(19)22(17)35)49-28-25(38)24(37)23(36)20(50-28)9-45-29-27(40)32(42,12-47-29)13-48-30-26(39)31(41,10-33)11-46-30/h2-8,20,23-30,33-34,36-42H,9-13H2,1H3/t20-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m1/s1",COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO[C@@H]5OC[C@](O)(CO[C@@H]6OC[C@](O)(CO)[C@H]6O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c2=O)cc1,C32H38O18,pos_2_2proton2acetonitrile,710.2058143760003,CKLMBUIIPNQRLI,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Solanum crinitum,836460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum crinitum'],8,0,8.0
8665,1706,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.48056245,ISDB,PAYGLZYMXFSCSZ-SGIREYDYSA-N,"InChI=1S/C16H18O3/c1-9-5-6-12-10(2)8-16(18-4)14(13(12)7-9)11(3)15(17)19-16/h5-8,11,14H,1-4H3/t11-,14+,16+/m0/s1",CO[C@@]12C=C(C)c3ccc(C)cc3[C@H]1[C@H](C)C(=O)O2,C16H18O3,,258.125594436,PAYGLZYMXFSCSZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],6,3,9.422249794006348
8666,1701,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_1proton1ammonium,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
8667,1697,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,1,6.5
8668,1697,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,1,6.5
8669,1697,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,1,6.5
8670,1697,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,1,6.5
8671,1695,-1,,,,0.56391156,ISDB,,,,,,,LFRJFNZVYIDSLH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.255646228790283
8672,1694,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
8673,1694,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
8674,1691,-1,,,,0.0,MS1_match,XVQDCCGQSOTQBN-UHFFFAOYSA-N,"InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3",CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)CO,C25H36O2,pos_1_1proton1ethylamine,368.271530392,XVQDCCGQSOTQBN,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
8675,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
8676,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudolulo,835545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudolulo'],8,0,8.0
8677,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum myriacanthum,877389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum myriacanthum'],8,0,8.0
8678,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,0,8.0
8679,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,0,8.0
8680,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudopersicum,7631185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudopersicum'],8,0,8.0
8681,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum robustum,835017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum robustum'],8,0,8.0
8682,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
8683,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum marginatum,691775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum marginatum'],8,0,8.0
8684,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum bicolor,651350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperum'],8,0,8.0
8685,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum donianum,294747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum donianum'],8,0,8.0
8686,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeastrum,66070.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeastrum'],8,0,8.0
8687,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum paludosum,766363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paludosum'],8,0,8.0
8688,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sessiliflorum,835560.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sessiliflorum'],8,0,8.0
8689,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum caavurana,3869904.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum caavurana'],8,0,8.0
8690,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicoides,311868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicoides'],8,0,8.0
8691,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum asperum,651350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum asperum'],8,0,8.0
8692,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mauritianum,785106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mauritianum'],8,0,8.0
8693,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0
8694,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sodomeum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
8695,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum linnaeanum,14220.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum linnaeanum'],8,0,8.0
8696,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
8697,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum viarum,450048.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum viarum'],8,0,8.0
8698,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum anomalum,104423.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anomalum'],8,0,8.0
8699,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum grandiflorum,3869761.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum grandiflorum'],8,0,8.0
8700,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-CRTNBRGHSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19-,20-,21+,22+,23-,24+,25-,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pinnatum,3869569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pinnatum'],8,0,8.0
8701,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum elaeagnifolium,399742.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum elaeagnifolium'],8,0,8.0
8702,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum villosum,358705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum villosum'],8,0,8.0
8703,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum carolinense,390164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum carolinense'],8,0,8.0
8704,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chenopodioides,503666.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chenopodioides'],8,0,8.0
8705,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,0,8.0
8706,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum bonariense,364007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum bonariense'],8,0,8.0
8707,1691,-1,,,,0.0,MS1_match,VCYNHQOAZQMPOJ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CCC5CC(=O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,VCYNHQOAZQMPOJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
8708,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-CAKNJAFZSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1",C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum cleistogamum,836456.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum cleistogamum'],8,0,8.0
8709,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum trilobatum,805826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum trilobatum'],8,0,8.0
8710,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,0,8.0
8711,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,0,8.0
8712,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-FFRUGWTFSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16?,17?,19?,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1",CC1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
8713,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,0,8.0
8714,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,0,8.0
8715,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,0,8.0
8716,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-VKROHFNGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum abutiloides,121213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum abutiloides'],8,0,8.0
8717,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,8.0
8718,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,0,8.0
8719,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum canense,70334.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum canense'],8,0,8.0
8720,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-YWIAOGNGSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1",C[C@@H]1CCC([C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum fraxinifolium,81458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum fraxinifolium'],8,0,8.0
8721,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-AGQBKMEESA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25-,26-,27-/m0/s1",C[C@H]1CCC([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)=NC1,C27H43NO2,pos_1_1proton,413.3293796159999,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum pseudocapsicum,121218.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pseudocapsicum'],8,0,8.0
8722,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3",CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1,C27H43NO2,pos_1_1proton,413.329379616,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,0,8.0
8723,1691,-1,,,,0.0,MS1_match,RFIYLZGMGGONQR-QFJXAUAASA-N,"InChI=1S/C27H43NO2/c1-15-11-23(30)25-16(2)24-22(28(25)14-15)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-25,29-30H,6-14H2,1-4H3/t15-,16-,18-,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1C[C@H](O)[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C27H43NO2,pos_1_1proton,413.329379616,RFIYLZGMGGONQR,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum orbignianum,6092306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum orbignianum'],8,0,8.0
8724,1691,-1,,,,0.0,MS1_match,JMSRDKIFVZVAMX-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3",CC1CCC(C(C)C2C(O)CC3C4CC=C5CC(O)CCC5(C)C4CCC32C)=NC1,C27H43NO2,pos_1_1proton,413.329379616,JMSRDKIFVZVAMX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum capsicastrum,885665.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum capsicastrum'],8,0,8.0
8725,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,0,8.0
8726,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
8727,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
8728,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-INULWVDGSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27-/m0/s1",C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
8729,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,0,8.0
8730,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum adoense,3870108.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum adoense'],8,0,8.0
8731,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0
8732,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,0,8.0
8733,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum laciniatum,121224.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laciniatum'],8,0,8.0
8734,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aculeatissimum,217959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aculeatissimum'],8,0,8.0
8735,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
8736,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum laxum,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,0,8.0
8737,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
8738,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum umbelliferum,3869820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum umbelliferum'],8,0,8.0
8739,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,0,8.0
8740,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0
8741,1691,-1,,,,0.0,MS1_match,KWVISVAMQJWJSZ-UHFFFAOYSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3",CC1CCC2(NC1)OC1CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C1C2C,C27H43NO2,pos_1_1proton,413.329379616,KWVISVAMQJWJSZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum jasminoides,261784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum laxum'],8,0,8.0
8742,1691,-1,,,,0.0,MS1_match,VCYNHQOAZQMPOJ-OBOJVYGLSA-N,"InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-18,20-24,28H,5-15H2,1-4H3/t16-,17+,18-,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H43NO2,pos_1_1proton,413.329379616,VCYNHQOAZQMPOJ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,0,8.0
8743,1690,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.71909595,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,8.876383781433105
8744,1690,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.71909595,ISDB,KSEBMYQBYZTDHS-HWKANZROSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+",COc1cc(/C=C/C(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Digitalis ferruginea,644418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis ferruginea'],6,0,8.876383781433105
8745,1688,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JBGBPOYDCGQCJC-MWKLXWFVSA-N,"InChI=1S/C31H38O16/c1-14-24(38)25(39)26(40)31(44-14)47-29-27(41)30(42-10-9-17-4-7-19(34)21(36)12-17)45-22(13-43-15(2)32)28(29)46-23(37)8-5-16-3-6-18(33)20(35)11-16/h3-8,11-12,14,22,24-31,33-36,38-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1",CC(=O)OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C31H38O16,pos_2_2proton2acetonitrile,666.215985136,JBGBPOYDCGQCJC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,3,7.5
8746,1688,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JCUVYORJFAOCLA-MOSXVVKOSA-N,"InChI=1S/C31H38O16/c1-14-27(44-15(2)33)24(39)25(40)31(43-14)47-29-26(41)30(42-10-9-17-4-7-19(35)21(37)12-17)45-22(13-32)28(29)46-23(38)8-5-16-3-6-18(34)20(36)11-16/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27-,28+,29+,30+,31-/m0/s1",CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)O[C@H]1C,C31H38O16,pos_2_2proton2acetonitrile,666.215985136,JCUVYORJFAOCLA,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,3,7.5
8747,1688,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ALERZNQPBWWLMW-OMRKUVHCSA-N,"InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C31H38O16,pos_2_2proton2acetonitrile,666.2159851360001,ALERZNQPBWWLMW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago depressa,1004414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago depressa'],6,3,7.5
8748,1688,700,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,ALERZNQPBWWLMW-OMRKUVHCSA-N,"InChI=1S/C31H38O16/c1-14-24(39)25(40)26(41)30(43-14)47-28-27(46-23(38)8-5-16-3-6-18(34)20(36)11-16)22(13-32)45-31(29(28)44-15(2)33)42-10-9-17-4-7-19(35)21(37)12-17/h3-8,11-12,14,22,24-32,34-37,39-41H,9-10,13H2,1-2H3/b8-5+/t14-,22+,24-,25+,26+,27+,28-,29+,30-,31+/m0/s1",CC(=O)O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,C31H38O16,pos_2_2proton2acetonitrile,666.2159851360001,ALERZNQPBWWLMW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago depressa,1004414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago depressa'],6,3,7.5
8749,1683,-1,,,,0.32861272,ISDB,SLZPIGPCASURLO-HTOWHDALSA-N,"InChI=1S/C26H44O6/c1-14(13-27)5-6-15(2)16-11-18(29)23-24(16,3)10-8-20-25(4)9-7-17(28)22(31)21(25)19(30)12-26(20,23)32/h5-6,14-23,27-32H,7-13H2,1-4H3/b6-5+/t14-,15-,16-,17+,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1",C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@]12O)CO,C26H44O6,,452.313789128,SLZPIGPCASURLO,Terpenoids,Steroids,Cholestane steroids,Eurybia conspicua,962205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Eurybia'],['Eurybia conspicua'],6,0,7.3144508600234985
8750,1683,-1,,,,0.32861272,ISDB,SLZPIGPCASURLO-HTOWHDALSA-N,"InChI=1S/C26H44O6/c1-14(13-27)5-6-15(2)16-11-18(29)23-24(16,3)10-8-20-25(4)9-7-17(28)22(31)21(25)19(30)12-26(20,23)32/h5-6,14-23,27-32H,7-13H2,1-4H3/b6-5+/t14-,15-,16-,17+,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1",C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@]12O)CO,C26H44O6,,452.313789128,SLZPIGPCASURLO,Terpenoids,Steroids,Cholestane steroids,Aster conspicuus,7597393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster conspicuus'],6,0,7.3144508600234985
8751,1683,-1,,,,0.32861272,ISDB,SLZPIGPCASURLO-HTOWHDALSA-N,"InChI=1S/C26H44O6/c1-14(13-27)5-6-15(2)16-11-18(29)23-24(16,3)10-8-20-25(4)9-7-17(28)22(31)21(25)19(30)12-26(20,23)32/h5-6,14-23,27-32H,7-13H2,1-4H3/b6-5+/t14-,15-,16-,17+,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1",C[C@H](/C=C/[C@@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)[C@H](O)[C@@H]3[C@@H](O)C[C@]12O)CO,C26H44O6,,452.313789128,SLZPIGPCASURLO,Terpenoids,Steroids,Cholestane steroids,Aster tataricus,287847.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster tataricus'],6,0,7.3144508600234985
8752,1682,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,pos_1_1proton,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
8753,1681,-1,,,,0.9485472,ISDB,,,,,,,PVOQPLSKYNZHOT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.7941887378692627
8754,1680,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZESXHJBNRBQXJG-HLLFHKOJSA-N,"InChI=1S/C29H32O18/c1-9(31)42-8-18-22(37)24(39)26(41)28(46-18)47-27-25(40)21(36)17(7-30)45-29(27)44-16-6-15-19(23(38)20(16)35)13(34)5-14(43-15)10-2-3-11(32)12(33)4-10/h2-6,17-18,21-22,24-30,32-33,35-41H,7-8H2,1H3/t17-,18-,21-,22-,24-,25+,26-,27-,28+,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O,C29H32O18,pos_1_1proton,668.158864184,ZESXHJBNRBQXJG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica orientalis,451460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica orientalis'],7,2,8.0
8755,1680,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,ZESXHJBNRBQXJG-HLLFHKOJSA-N,"InChI=1S/C29H32O18/c1-9(31)42-8-18-22(37)24(39)26(41)28(46-18)47-27-25(40)21(36)17(7-30)45-29(27)44-16-6-15-19(23(38)20(16)35)13(34)5-14(43-15)10-2-3-11(32)12(33)4-10/h2-6,17-18,21-22,24-30,32-33,35-41H,7-8H2,1H3/t17-,18-,21-,22-,24-,25+,26-,27-,28+,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c(O)c3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O,C29H32O18,pos_1_1proton,668.158864184,ZESXHJBNRBQXJG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica intercedens,414648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica intercedens'],7,2,8.0
8756,1675,403,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,0.0,MS1_match,XXWIUGNNANJILR-SNVBAGLBSA-N,"InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,10,12H/t10-/m1/s1",O=C1C=C(c2ccccc2)[C@H](O)O1,C10H8O3,pos_1_1proton,176.047344116,XXWIUGNNANJILR,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],6,3,7.5
8757,1673,-1,,,,0.46338692,ISDB,MDLTWTOQCHCLSZ-UHFFFAOYSA-N,"InChI=1S/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3",Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O,C14H21NO8,,331.126716632,MDLTWTOQCHCLSZ,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Pisum sativum,359905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Pisum sativum'],4,0,5.853547692298889
8758,1672,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,LNIVUWPCHRNJLG-SXFAUFNYSA-N,"InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)33-13-7-12-14(16(26)15(13)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,17-20,22-23,25-29H,1H3/t17-,18-,19+,20-,22+/m0/s1",COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O,C22H20O12,pos_1_1proton,476.09547608,LNIVUWPCHRNJLG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,2,7.0
8759,1672,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VQDVPEBDINWLHZ-UHFFFAOYSA-N,"InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)32-9-5-12(25)16-13(26)7-14(33-15(16)6-9)8-2-3-10(23)11(24)4-8/h2-7,17-20,22-25,27-29H,1H3",COC(=O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C22H20O12,pos_1_1proton,476.0954760799999,VQDVPEBDINWLHZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,2,7.0
8760,1672,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VQDVPEBDINWLHZ-UHFFFAOYSA-N,"InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)32-9-5-12(25)16-13(26)7-14(33-15(16)6-9)8-2-3-10(23)11(24)4-8/h2-7,17-20,22-25,27-29H,1H3",COC(=O)C1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O,C22H20O12,pos_1_1proton,476.0954760799999,VQDVPEBDINWLHZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,2,7.0
8761,1672,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VLYLVFHVHHGXHX-SXFAUFNYSA-N,"InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)ccc1O,C22H20O12,pos_1_1proton,476.09547608,VLYLVFHVHHGXHX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Antirrhinum majus,596457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Antirrhinum'],['Antirrhinum majus'],6,2,7.0
8762,1672,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,XEBPNCWIPRFZFV-JRSUCEMESA-N,"InChI=1S/C22H20O12/c1-31-14-4-8(2-3-10(14)23)13-7-12(25)16-11(24)5-9(6-15(16)33-13)32-22(30)20-18(27)17(26)19(28)21(29)34-20/h2-7,17-21,23-24,26-29H,1H3/t17-,18-,19+,20-,21+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(OC(=O)[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)cc3o2)ccc1O,C22H20O12,pos_1_1proton,476.09547608,XEBPNCWIPRFZFV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,2,7.0
8763,1668,-1,,,,0.68305826,ISDB,VPDJBEHQUMUQDG-GFCCVEGCSA-N,"InChI=1S/C15H16O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h4-5,7-8,12H,3,6H2,1-2H3,(H,16,17)/t12-/m1/s1",C=C(C(=O)O)[C@H]1C=C2C(C)=CC=C2C(C)=CC1,C15H16O2,,228.115029752,VPDJBEHQUMUQDG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ursinia nudicaulis,6055864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ursinia'],['Ursinia nudicaulis'],6,0,8.732233047485352
8764,1666,-1,,,,0.57961583,ISDB,ZFNHTPGNNDBTCK-DEQVHDEQSA-N,"InChI=1S/C15H27NO2/c1-4-5-6-7-8-9-10-11-14(17)15(18)16-12-13(2)3/h4-7,13-14,17H,8-12H2,1-3H3,(H,16,18)/b5-4+,7-6-",C/C=C/C=C\CCCCC(O)C(=O)NCC(C)C,C15H27NO2,,253.204179104,ZFNHTPGNNDBTCK,Fatty acids,Fatty amides,N-acyl amines,Acmella ciliata,7604718.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Acmella'],['Acmella ciliata'],1,0,3.3184633255004883
8765,1664,-1,,,,0.0,MS1_match,XWWFTENYYLOSHV-HSHKWXQGSA-N,"InChI=1S/C21H26O8/c1-9(2)19(24)28-14-6-10(3)13-7-15(23)21(26,8-27-12(5)22)17(13)18-16(14)11(4)20(25)29-18/h13-18,23,26H,1,3-4,6-8H2,2,5H3/t13-,14-,15-,16+,17-,18-,21+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COC(C)=O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C21H26O8,pos_1_1proton1acetonitrile,406.162767792,XWWFTENYYLOSHV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum serratuloides,385654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum serratuloides'],7,0,7.0
8766,1664,-1,,,,0.0,MS1_match,UODLJGOMPZCURJ-ZYRLFZHTSA-N,"InChI=1S/C21H26O8/c1-9-6-7-14-10(2)21(25)29-18(14)17-15(8-26-11(3)22)19(27-12(4)23)20(16(9)17)28-13(5)24/h14-20H,1-2,6-8H2,3-5H3/t14-,15-,16-,17-,18-,19+,20+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]12,C21H26O8,pos_1_1proton1acetonitrile,406.162767792,UODLJGOMPZCURJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
8767,1664,-1,,,,0.0,MS1_match,UODLJGOMPZCURJ-ZYRLFZHTSA-N,"InChI=1S/C21H26O8/c1-9-6-7-14-10(2)21(25)29-18(14)17-15(8-26-11(3)22)19(27-12(4)23)20(16(9)17)28-13(5)24/h14-20H,1-2,6-8H2,3-5H3/t14-,15-,16-,17-,18-,19+,20+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]12,C21H26O8,pos_1_1proton1acetonitrile,406.162767792,UODLJGOMPZCURJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
8768,1664,-1,,,,0.0,MS1_match,XWWFTENYYLOSHV-HSHKWXQGSA-N,"InChI=1S/C21H26O8/c1-9(2)19(24)28-14-6-10(3)13-7-15(23)21(26,8-27-12(5)22)17(13)18-16(14)11(4)20(25)29-18/h13-18,23,26H,1,3-4,6-8H2,2,5H3/t13-,14-,15-,16+,17-,18-,21+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COC(C)=O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C21H26O8,pos_1_1proton1acetonitrile,406.162767792,XWWFTENYYLOSHV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
8769,1664,-1,,,,0.0,MS1_match,GDGXWVYJAZGPJE-DYOQOXSKSA-N,"InChI=1S/C21H26O8/c1-12(9-22)20(25)28-18-8-16(11-27-14(3)24)6-4-5-15(10-23)7-17-19(18)13(2)21(26)29-17/h6-7,17-19,22-23H,1-2,4-5,8-11H2,3H3/b15-7-,16-6-/t17-,18+,19+/m1/s1",C=C(CO)C(=O)O[C@H]1C/C(COC(C)=O)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12,C21H26O8,pos_1_1proton1acetonitrile,406.162767792,GDGXWVYJAZGPJE,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea eriobasis,3894774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea eriobasis'],7,0,7.0
8770,1664,-1,,,,0.0,MS1_match,XWWFTENYYLOSHV-HSHKWXQGSA-N,"InChI=1S/C21H26O8/c1-9(2)19(24)28-14-6-10(3)13-7-15(23)21(26,8-27-12(5)22)17(13)18-16(14)11(4)20(25)29-18/h13-18,23,26H,1,3-4,6-8H2,2,5H3/t13-,14-,15-,16+,17-,18-,21+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COC(C)=O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C21H26O8,pos_1_1proton1acetonitrile,406.162767792,XWWFTENYYLOSHV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
8771,1664,-1,,,,0.0,MS1_match,LGNNWXPKLOJCAU-HQZQWKOLSA-N,"InChI=1S/C23H26O8/c1-10-7-18(30-22(26)11(2)9-28-14(5)24)20-13(4)23(27)31-21(20)19-12(3)17(8-16(10)19)29-15(6)25/h16-21H,1-4,7-9H2,5-6H3/t16-,17-,18-,19-,20+,21+/m0/s1",C=C(COC(C)=O)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](OC(C)=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C23H26O8,pos_1_1proton1ammonium,430.1627677919999,LGNNWXPKLOJCAU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
8772,1664,-1,,,,0.0,MS1_match,BWZISNOXEJHUTI-NPGRCNIMSA-N,"InChI=1S/C21H26O8/c1-6-21(10-23)7-15(28-19(25)11(2)8-22)16-13(4)20(26)29-18(16)17(21)12(3)9-27-14(5)24/h6,15-18,22-23H,1-4,7-10H2,5H3/t15-,16+,17+,18-,21+/m0/s1",C=C[C@]1(CO)C[C@H](OC(=O)C(=C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)COC(C)=O,C21H26O8,pos_1_1proton1acetonitrile,406.162767792,BWZISNOXEJHUTI,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
8773,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XPFVYQJUAUNWIW-UHFFFAOYSA-N,"InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2",OCc1ccco1,C5H6O2,pos_1_1proton1isopropanol,98.036779432,XPFVYQJUAUNWIW,Polyketides,Cyclic polyketides,Furans,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
8774,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PYRIQCKRAKOMEB-GFSREQAASA-N,"InChI=1S/C16H28O6/c1-6-10(7-9(2)3)16(4,5)22-15-14(20)13(19)12(18)11(8-17)21-15/h6-7,10-15,17-20H,1,8H2,2-5H3/t10-,11?,12?,13?,14?,15?/m0/s1",C=C[C@@H](C=C(C)C)C(C)(C)OC1OC(CO)C(O)C(O)C1O,C16H28O6,pos_2_2proton,316.188588616,PYRIQCKRAKOMEB,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Matricaria chamomilla,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],6,2,7.0
8775,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,NZNWCYFBFHHMLM-MTWVNVMRSA-N,"InChI=1S/C16H28O6/c1-9-4-6-10(7-5-9)16(2,3)22-15-14(20)13(19)12(18)11(8-17)21-15/h4,10-15,17-20H,5-8H2,1-3H3/t10-,11+,12+,13-,14+,15-/m0/s1",CC1=CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C16H28O6,pos_2_2proton,316.188588616,NZNWCYFBFHHMLM,Terpenoids,Monoterpenoids,,Artemisia iwayomogi,361557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia iwayomogi'],6,2,7.0
8776,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,NZNWCYFBFHHMLM-MTWVNVMRSA-N,"InChI=1S/C16H28O6/c1-9-4-6-10(7-5-9)16(2,3)22-15-14(20)13(19)12(18)11(8-17)21-15/h4,10-15,17-20H,5-8H2,1-3H3/t10-,11+,12+,13-,14+,15-/m0/s1",CC1=CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C16H28O6,pos_2_2proton,316.188588616,NZNWCYFBFHHMLM,Terpenoids,Monoterpenoids,,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],6,2,7.0
8777,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JMCFZBXJPGDESD-CQXYJALYSA-N,"InChI=1S/C16H28O6/c1-15(2)8-4-5-16(15,3)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,13+,14-,16+/m0/s1",CC1(C)[C@H]2CC[C@]1(C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C16H28O6,pos_2_2proton,316.18858861599995,JMCFZBXJPGDESD,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Eupatorium glehnii,7603299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eupatorium'],['Eupatorium glehnii'],6,2,7.0
8778,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JMCFZBXJPGDESD-CQXYJALYSA-N,"InChI=1S/C16H28O6/c1-15(2)8-4-5-16(15,3)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3/t8-,9+,10+,11+,12-,13+,14-,16+/m0/s1",CC1(C)[C@H]2CC[C@]1(C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C16H28O6,pos_2_2proton,316.18858861599995,JMCFZBXJPGDESD,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Eupatorium chinense,1032030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eupatorium'],['Eupatorium chinense'],6,2,7.0
8779,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IAMFEXMKGWXBDC-OVLXOVBLSA-N,"InChI=1S/C16H28O6/c1-7(2)16-4-9(16)8(3)10(5-16)21-15-14(20)13(19)12(18)11(6-17)22-15/h7-15,17-20H,4-6H2,1-3H3/t8-,9-,10-,11-,12-,13+,14-,15-,16+/m1/s1",CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C16H28O6,pos_2_2proton,316.188588616,IAMFEXMKGWXBDC,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Artemisia santolinifolia,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],6,2,7.0
8780,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IAMFEXMKGWXBDC-OVLXOVBLSA-N,"InChI=1S/C16H28O6/c1-7(2)16-4-9(16)8(3)10(5-16)21-15-14(20)13(19)12(18)11(6-17)22-15/h7-15,17-20H,4-6H2,1-3H3/t8-,9-,10-,11-,12-,13+,14-,15-,16+/m1/s1",CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C16H28O6,pos_2_2proton,316.188588616,IAMFEXMKGWXBDC,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Artemisia stechmanniana,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],6,2,7.0
8781,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IAMFEXMKGWXBDC-OVLXOVBLSA-N,"InChI=1S/C16H28O6/c1-7(2)16-4-9(16)8(3)10(5-16)21-15-14(20)13(19)12(18)11(6-17)22-15/h7-15,17-20H,4-6H2,1-3H3/t8-,9-,10-,11-,12-,13+,14-,15-,16+/m1/s1",CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C16H28O6,pos_2_2proton,316.188588616,IAMFEXMKGWXBDC,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],6,2,7.0
8782,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IAMFEXMKGWXBDC-OVLXOVBLSA-N,"InChI=1S/C16H28O6/c1-7(2)16-4-9(16)8(3)10(5-16)21-15-14(20)13(19)12(18)11(6-17)22-15/h7-15,17-20H,4-6H2,1-3H3/t8-,9-,10-,11-,12-,13+,14-,15-,16+/m1/s1",CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2,C16H28O6,pos_2_2proton,316.188588616,IAMFEXMKGWXBDC,Terpenoids,Monoterpenoids,Thujane monoterpenoids,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],6,2,7.0
8783,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,FLXYFXDZJHWWGW-BKQXGZDCSA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@](C)(CCC=C(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,pos_2_2proton,316.188588616,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pluchea indica,446140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea indica'],6,2,7.0
8784,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,FLXYFXDZJHWWGW-BKQXGZDCSA-N,"InChI=1S/C16H28O6/c1-5-16(4,8-6-7-10(2)3)22-15-14(20)13(19)12(18)11(9-17)21-15/h5,7,11-15,17-20H,1,6,8-9H2,2-4H3/t11-,12-,13+,14-,15-,16-/m1/s1",C=C[C@](C)(CCC=C(C)C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,pos_2_2proton,316.188588616,FLXYFXDZJHWWGW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Pluchea indica,446140.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pluchea'],['Pluchea indica'],6,2,7.0
8785,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PYRIQCKRAKOMEB-GFSREQAASA-N,"InChI=1S/C16H28O6/c1-6-10(7-9(2)3)16(4,5)22-15-14(20)13(19)12(18)11(8-17)21-15/h6-7,10-15,17-20H,1,8H2,2-5H3/t10-,11?,12?,13?,14?,15?/m0/s1",C=C[C@@H](C=C(C)C)C(C)(C)OC1OC(CO)C(O)C(O)C1O,C16H28O6,pos_2_2proton,316.188588616,PYRIQCKRAKOMEB,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Chamomilla recutita,145582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Matricaria'],['Matricaria chamomilla'],6,2,7.0
8786,1659,557,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XHAYFIUIJVKIEL-DXUDUQDWSA-N,"InChI=1S/C16H28O6/c1-6-16(4,5)11(7-9(2)3)22-15-14(20)13(19)12(18)10(8-17)21-15/h6-7,10-15,17-20H,1,8H2,2-5H3/t10-,11+,12-,13+,14-,15+/m1/s1",C=CC(C)(C)[C@H](C=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H28O6,pos_2_2proton,316.188588616,XHAYFIUIJVKIEL,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Artemisia ordosica,441241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia ordosica'],6,2,7.0
8787,1656,771,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PNNNRSAQSRJVSB-SLPGGIOYSA-N,"InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6+/m0/s1",C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O,C6H12O5,pos_2MHCH3CN,164.068473484,PNNNRSAQSRJVSB,Carbohydrates,Saccharides,Monosaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
8788,1656,771,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VRYALKFFQXWPIH-UHFFFAOYSA-N,"InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2",O=CCC(O)C(O)C(O)CO,C6H12O5,pos_2MHCH3CN,164.068473484,VRYALKFFQXWPIH,Carbohydrates,Saccharides,Monosaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
8789,1655,228,Amino acids and Peptides,Small peptides,Aminoacids,0.8210246,ISDB,OUYCCCASQSFEME-UHFFFAOYSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)",NC(Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,8.784098386764526
8790,1655,228,Amino acids and Peptides,Small peptides,Aminoacids,0.8210246,ISDB,OUYCCCASQSFEME-QMMMGPOBSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1",N[C@@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Periplaneta americana,48288.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Blattodea'],['Blattidae'],['Unknown'],['Dictyoptera'],['Periplaneta americana'],4,3,8.784098386764526
8791,1655,228,Amino acids and Peptides,Small peptides,Aminoacids,0.8210246,ISDB,OUYCCCASQSFEME-MRVPVSSYSA-N,"InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1",N[C@H](Cc1ccc(O)cc1)C(=O)O,C9H11NO3,,181.073893212,OUYCCCASQSFEME,Amino acids and Peptides,Small peptides,Aminoacids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,3,8.784098386764526
8792,1654,-1,,,,0.0,MS1_match,NKMTZHWTSVILKU-LMXKRYQVSA-N,"InChI=1S/C19H30O9/c1-9(21)5-6-19-17(2,3)7-10(22)15(18(19,4)28-19)27-16-14(25)13(24)12(23)11(8-20)26-16/h5-6,10-16,20,22-25H,7-8H2,1-4H3/b6-5+/t10-,11+,12+,13-,14+,15-,16-,18-,19+/m0/s1",CC(=O)/C=C/[C@]12O[C@@]1(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CC2(C)C,C19H30O9,pos_1_1proton1ethylamine,402.18898254,NKMTZHWTSVILKU,Terpenoids,Apocarotenoids,Megastigmanes,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
8793,1654,-1,,,,0.0,MS1_match,VDGVSLYORGPBOK-ZNJBIABSSA-N,"InChI=1S/C21H34O9/c1-10(18(26)27)11-4-6-20(2)7-5-14(21(3,28)13(20)8-11)30-19-17(25)16(24)15(23)12(9-22)29-19/h11-17,19,22-25,28H,1,4-9H2,2-3H3,(H,26,27)/t11-,12-,13-,14+,15-,16+,17-,19+,20+,21-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(O)[C@@H]2C1,C21H34O9,pos_1_1proton1ammonium,430.220282668,VDGVSLYORGPBOK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
8794,1652,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,6.5
8795,1652,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
8796,1652,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,1,6.5
8797,1652,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton1ethylamine,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,6.5
8798,1649,-1,,,,0.0,MS1_match,WOQBUFGEWLXSNN-YCYMDWBLSA-N,"InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(24)12(2)10-22(16,18(11)25)26-13(3)23/h9,12,14-17,19,24H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1",CC(=O)O[C@]12C[C@H](C)[C@H](O)[C@@H]1[C@H]1O[C@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C,C22H32O5,pos_1_1proton1ethylamine,376.2249741239999,WOQBUFGEWLXSNN,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
8799,1649,-1,,,,0.0,MS1_match,WOQBUFGEWLXSNN-YCYMDWBLSA-N,"InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(24)12(2)10-22(16,18(11)25)26-13(3)23/h9,12,14-17,19,24H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1",CC(=O)O[C@]12C[C@H](C)[C@H](O)[C@@H]1[C@H]1O[C@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C,C22H32O5,pos_1_1proton1ethylamine,376.2249741239999,WOQBUFGEWLXSNN,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,0,8.0
8800,1649,-1,,,,0.0,MS1_match,UYGFMYCDFZUFFD-YCYMDWBLSA-N,"InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(26-13(3)23)12(2)10-22(16,25)18(11)24/h9,12,14-17,19,25H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]3O[C@]3(C)CC[C@H]3[C@@H](/C=C(\C)C(=O)[C@@]2(O)C[C@@H]1C)C3(C)C,C22H32O5,pos_1_1proton1ethylamine,376.2249741239999,UYGFMYCDFZUFFD,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.0
8801,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,1,6.5
8802,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],6,1,6.5
8803,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,1,6.5
8804,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Gossypium barbadense,854476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium barbadense'],6,1,6.5
8805,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Abutilon ramosum,5762315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abutilon'],['Abutilon ramosum'],6,1,6.5
8806,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Firmiana pallens,6118805.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana pallens'],6,1,6.5
8807,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,1,6.5
8808,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus,83402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Unknown'],6,1,6.5
8809,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,1,6.5
8810,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malvaviscus arboreus,108599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malvaviscus'],['Malvaviscus arboreus'],6,1,6.5
8811,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Sterculia tomentosa,283034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Firmiana'],['Firmiana simplex'],6,1,6.5
8812,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Sterculia tragacantha,770769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia tragacantha'],6,1,6.5
8813,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Sterculia setigera,3942879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Sterculia'],['Sterculia setigera'],6,1,6.5
8814,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,ZSIAUFGUXNUGDI-UHFFFAOYSA-N,"InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3",CCCCCCO,C6H14O,pos_2MHCH3CN,102.104465068,ZSIAUFGUXNUGDI,Fatty acids,Fatty acyls,Fatty alcohols,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,1,6.5
8815,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,1,6.5
8816,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,1,6.5
8817,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,1,6.5
8818,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,1,6.5
8819,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,1,6.5
8820,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,1,6.5
8821,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea broussonetiifolia,6117054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea broussonetiifolia'],6,1,6.5
8822,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea armeniaca,447106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea armeniaca'],6,1,6.5
8823,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],6,1,6.5
8824,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus sabdariffa,120930.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus sabdariffa'],6,1,6.5
8825,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,1,6.5
8826,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,1,6.5
8827,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,POULHZVOKOAJMA-UHFFFAOYSA-N,"InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)",CCCCCCCCCCCC(=O)O,C12H24O2,pos_1_1proton1ethylamine,200.177630008,POULHZVOKOAJMA,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,1,6.5
8828,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,TUNFSRHWOTWDNC-UHFFFAOYSA-N,"InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)",CCCCCCCCCCCCCC(=O)O,C14H28O2,pos_1_1proton1ammonium,228.208930136,TUNFSRHWOTWDNC,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,1,6.5
8829,1648,471,Fatty acids,Sphingolipids,Sphingoid bases,0.0,MS1_match,FXHGMKSSBGDXIY-UHFFFAOYSA-N,"InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3",CCCCCCC=O,C7H14O,pos_2MHNH3,114.104465068,FXHGMKSSBGDXIY,Fatty acids,Fatty acyls,Fatty aldehydes,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,1,6.5
8830,1647,-1,,,,0.0,MS1_match,ZJPRWEAYLJQMLO-UHFFFAOYSA-N,"InChI=1S/C37H38O17/c1-49-26-10-16(2-8-21(26)40)3-9-29(42)50-15-28-31(44)33(46)35(48)37(54-28)53-25-13-24-19(22(41)12-23(51-24)17-4-6-18(39)7-5-17)11-20(25)36-34(47)32(45)30(43)27(14-38)52-36/h2-13,27-28,30-40,43-48H,14-15H2,1H3",COc1cc(C=CC(=O)OCC2OC(Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4cc3C3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)ccc1O,C37H38O17,pos_2_1proton1potassium,754.210899756,ZJPRWEAYLJQMLO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
8831,1646,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ILTHPPRTQUWWGU-NXUBFONISA-N,"InChI=1S/C21H22O10/c22-8-17-19(27)20(28)21(9-23,31-17)30-12-5-13(25)18-14(26)7-15(29-16(18)6-12)10-1-3-11(24)4-2-10/h1-6,15,17,19-20,22-25,27-28H,7-9H2/t15-,17+,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,ILTHPPRTQUWWGU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],7,3,8.5
8832,1644,52,Terpenoids,Meroterpenoids,Tetraketide meroterpenoids,0.20774472,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Pinalia japonica,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.330978870391846
8833,1644,52,Terpenoids,Meroterpenoids,Tetraketide meroterpenoids,0.20774472,ISDB,QIVLWPIJESKEMW-JHJDZIRVSA-N,"InChI=1S/C37H60O5/c1-25(17-23-41-27(3)38)12-14-29-26(2)13-15-30-35(29,7)19-11-20-36(30,8)32(39)42-37(9)21-10-18-34(6)22-16-28(24-31(34)37)33(4,5)40/h17,28-31,40H,2,10-16,18-24H2,1,3-9H3/b25-17+/t28-,29+,30-,31-,34-,35-,36+,37-/m1/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)[C@H]1CC/C(C)=C/COC(C)=O,C37H60O5,,584.4440750199999,QIVLWPIJESKEMW,Terpenoids,Diterpenoids,Labdane diterpenoids,Conchidium japonicum,3979206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Podochileae'],['Conchidium'],['Conchidium japonicum'],4,1,5.330978870391846
8834,1643,467,Terpenoids,Monoterpenoids,Atisane diterpenoids,0.0,MS1_match,MGZCTUDLVVCKCA-LDEAWATRSA-N,"InChI=1S/C20H34O3/c1-17(2)14-5-9-19-8-4-13(20(23,11-19)12-21)10-15(19)18(14,3)7-6-16(17)22/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15-,16+,18+,19+,20+/m0/s1",CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@H]12)[C@](O)(CO)C3,C20H34O3,pos_2MFe,322.250794948,MGZCTUDLVVCKCA,Terpenoids,Diterpenoids,Atisane diterpenoids,Euphorbia quinquecostata,3912303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia quinquecostata'],7,3,8.5
8835,1642,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7150743,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],7,3,11.360297203063965
8836,1642,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.7150743,ISDB,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],7,3,11.360297203063965
8837,1639,-1,,,,0.0,MS1_match,CJYNUSAOAPXPPP-OJNPPMJPSA-N,"InChI=1S/C22H30O5/c1-12(11-27-13(2)23)14-9-15-16(24)10-17-21(3,4)7-6-8-22(17,5)18(15)20(26)19(14)25/h9,12,17,25-26H,6-8,10-11H2,1-5H3/t12?,17-,22-/m1/s1",CC(=O)OCC(C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O,C22H30O5,pos_2MFe,374.20932406,CJYNUSAOAPXPPP,Terpenoids,Diterpenoids,Abietane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],8,0,8.0
8838,1638,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.55817777,ISDB,YZBZORUZOSCZRN-YWHLHSFDSA-N,"InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14?/t16-/m0/s1",CC/C=C\C[C@@H]1OC1=C/C=C\CCCCCCCC(=O)O,C18H28O3,,292.203844756,YZBZORUZOSCZRN,Fatty acids,Octadecanoids,Other Octadecanoids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,1,4.73271107673645
8839,1636,218,Amino acids and Peptides,Small peptides,Aminoacids,0.6213686,ISDB,OTDQYOVYQQZAJL-UHFFFAOYSA-N,"InChI=1S/C10H12N2O4/c11-7-2-1-5(13)3-6(7)9(14)4-8(12)10(15)16/h1-3,8,13H,4,11-12H2,(H,15,16)",Nc1ccc(O)cc1C(=O)CC(N)C(=O)O,C10H12N2O4,,224.079706864,OTDQYOVYQQZAJL,Amino acids and Peptides,Small peptides,Aminoacids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,5.985474348068237
8840,1633,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,NQSPWJNPZSDSTK-UHFFFAOYSA-N,"InChI=1S/C16H22O12/c1-25-13(23)5-4-26-14(8-9(19)6(18)2-16(5,8)24)28-15-12(22)11(21)10(20)7(3-17)27-15/h4,6-8,10-12,14-15,17-18,20-22,24H,2-3H2,1H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(=O)C(O)CC12O,C16H22O12,pos_1_1proton1acetonitrile,406.111126144,NQSPWJNPZSDSTK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon strictus,1048398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon strictus'],6,1,6.5
8841,1633,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,NQSPWJNPZSDSTK-QNCYGNMUSA-N,"InChI=1S/C16H22O12/c1-25-13(23)5-4-26-14(8-9(19)6(18)2-16(5,8)24)28-15-12(22)11(21)10(20)7(3-17)27-15/h4,6-8,10-12,14-15,17-18,20-22,24H,2-3H2,1H3/t6-,7+,8-,10+,11-,12-,14-,15+,16-/m0/s1",COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(=O)[C@@H](O)C[C@]12O,C16H22O12,pos_1_1proton1acetonitrile,406.111126144,NQSPWJNPZSDSTK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon strictiformis,673701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon strictiformis'],6,1,6.5
8842,1630,119,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton1acetonitrile,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Poa huecu,3950744.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Poa'],['Poa huecu'],8,0,8.0
8843,1629,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.64793,ISDB,OYXDHOVYZKWSRM-PHJMNMFVSA-N,"InChI=1S/C20H26O3/c1-11-15-12(22-17(11)21)10-14-19(4)8-5-7-18(2,3)13(19)6-9-20(14)16(15)23-20/h10,13-14,16H,5-9H2,1-4H3/t13-,14+,16-,19-,20+/m1/s1",CC1=C2C(=C[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]34O[C@H]24)OC1=O,C20H26O3,,314.188194692,OYXDHOVYZKWSRM,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],8,3,12.09172010421753
8844,1629,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.64793,ISDB,OYXDHOVYZKWSRM-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-11-15-12(22-17(11)21)10-14-19(4)8-5-7-18(2,3)13(19)6-9-20(14)16(15)23-20/h10,13-14,16H,5-9H2,1-4H3",CC1=C2C(=CC3C4(C)CCCC(C)(C)C4CCC34OC24)OC1=O,C20H26O3,,314.188194692,OYXDHOVYZKWSRM,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,3,12.09172010421753
8845,1629,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.64793,ISDB,OYXDHOVYZKWSRM-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-11-15-12(22-17(11)21)10-14-19(4)8-5-7-18(2,3)13(19)6-9-20(14)16(15)23-20/h10,13-14,16H,5-9H2,1-4H3",CC1=C2C(=CC3C4(C)CCCC(C)(C)C4CCC34OC24)OC1=O,C20H26O3,,314.188194692,OYXDHOVYZKWSRM,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia sessiliflora,3912615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sessiliflora'],8,3,12.09172010421753
8846,1629,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.64793,ISDB,OYXDHOVYZKWSRM-PHJMNMFVSA-N,"InChI=1S/C20H26O3/c1-11-15-12(22-17(11)21)10-14-19(4)8-5-7-18(2,3)13(19)6-9-20(14)16(15)23-20/h10,13-14,16H,5-9H2,1-4H3/t13-,14+,16-,19-,20+/m1/s1",CC1=C2C(=C[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]34O[C@H]24)OC1=O,C20H26O3,,314.188194692,OYXDHOVYZKWSRM,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia plumerioides,1009375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia plumerioides'],8,3,12.09172010421753
8847,1629,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.64793,ISDB,OYXDHOVYZKWSRM-PHJMNMFVSA-N,"InChI=1S/C20H26O3/c1-11-15-12(22-17(11)21)10-14-19(4)8-5-7-18(2,3)13(19)6-9-20(14)16(15)23-20/h10,13-14,16H,5-9H2,1-4H3/t13-,14+,16-,19-,20+/m1/s1",CC1=C2C(=C[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]34O[C@H]24)OC1=O,C20H26O3,,314.188194692,OYXDHOVYZKWSRM,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],8,3,12.09172010421753
8848,1628,1223,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.37456632,ISDB,RBJDJJGMGHKQMI-ZEZNTJNFSA-N,"InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22-,27+,28+,29-,30-/m0/s1",C=C1CCC[C@]2(C)C[C@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@@H]12,C30H38O4,,462.277009696,RBJDJJGMGHKQMI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],4,3,6.998265266418457
8849,1628,1223,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.37456632,ISDB,RBJDJJGMGHKQMI-UHFFFAOYSA-N,"InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3",C=C1CCCC2(C)CC3(C45CC6(C)CCCC(=C)C6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3CC12,C30H38O4,,462.277009696,RBJDJJGMGHKQMI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],4,3,6.998265266418457
8850,1628,1223,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,0.37456632,ISDB,RBJDJJGMGHKQMI-IBROYFQSSA-N,"InChI=1S/C30H38O4/c1-17-9-7-11-27(5)15-29(23(13-21(17)27)19(3)25(31)33-29)30-16-28(6)12-8-10-18(2)22(28)14-24(30)20(4)26(32)34-30/h21-22H,1-2,7-16H2,3-6H3/t21-,22+,27+,28-,29-,30+",C=C1CCC[C@@]2(C)C[C@@]3([C@]45C[C@@]6(C)CCCC(=C)[C@@H]6CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@H]12,C30H38O4,,462.277009696,RBJDJJGMGHKQMI,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Trattinnickia rhoifolia,5748258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Burseraceae'],['Unknown'],['Trattinnickia'],['Trattinnickia rhoifolia'],4,3,6.998265266418457
8851,1624,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.0,MS1_match,ZHHYXNZJDGDGPJ-UHFFFAOYSA-N,"InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3",CCCCC=CC=CC=O,C9H14O,pos_1_1proton2acetonitrile,138.104465068,ZHHYXNZJDGDGPJ,Fatty acids,Fatty acyls,Fatty aldehydes,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,2,9.0
8852,1622,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.29870936,ISDB,GPVDHNVGGIAOQT-UHFFFAOYSA-N,"InChI=1S/C9H10O4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3,(H,10,11)",COc1ccc(C(=O)O)c(OC)c1,C9H10O4,,182.0579088,GPVDHNVGGIAOQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Salvia candidissima,582961.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia candidissima'],5,3,7.69483745098114
8853,1619,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,WINFSIMEBFWGGD-KXWFOMFWSA-N,"InChI=1S/C29H32O17/c1-10(31)41-9-18-21(36)23(38)25(40)28(45-18)46-27-24(39)20(35)17(8-30)44-29(27)43-16-7-14(34)19-13(33)6-15(42-26(19)22(16)37)11-2-4-12(32)5-3-11/h2-7,17-18,20-21,23-25,27-30,32,34-40H,8-9H2,1H3/t17-,18-,20-,21-,23-,24+,25-,27-,28+,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O,C29H32O17,pos_1_1proton,652.163949564,WINFSIMEBFWGGD,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],7,2,8.0
8854,1610,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.9116341,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,3,11.146536350250244
8855,1610,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.9116341,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone grandiflora,739052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone grandiflora'],6,3,11.146536350250244
8856,1610,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.9116341,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,3,11.146536350250244
8857,1610,284,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.9116341,ISDB,HJDZNSLTBDNJJW-UXPWSPDFSA-N,"InChI=1S/C20H17NO5/c1-21-16-5-11-4-14-15(24-8-23-14)6-12(11)20(16)7-10-2-3-13-18(25-9-22-13)17(10)19(21)26-20/h2-4,6,16,19H,5,7-9H2,1H3/t16-,19+,20+/m1/s1",CN1[C@H]2O[C@@]3(Cc4ccc5c(c42)OCO5)c2cc4c(cc2C[C@@H]13)OCO4,C20H17NO5,,351.1106726439999,HJDZNSLTBDNJJW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,11.146536350250244
8858,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FLHOOQHXTCQIJQ-LEHMWLKXSA-N,"InChI=1S/C22H26O8/c1-6-12(8-27-11(4)23)21(26)28-18-9(2)13-7-14-22(5,30-14)16(13)19-15(17(18)24)10(3)20(25)29-19/h6,13-19,24H,2-3,7-8H2,1,4-5H3/b12-6+/t13-,14+,15+,16-,17-,18+,19-,22+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@H](OC(=O)/C(=C/C)COC(C)=O)C(=C)[C@@H]1C[C@H]3O[C@@]3(C)[C@H]21,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,FLHOOQHXTCQIJQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lasiolaena santosii,7603801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Lasiolaena'],['Lasiolaena santosii'],6,3,7.5
8859,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AYKIKNPTNIJPRW-UDTPUXAFSA-N,"InChI=1S/C22H26O8/c1-10-7-15(25)17-11(2)8-16(19-12(3)21(26)30-20(19)18(10)17)29-22(27)14(5-6-23)9-28-13(4)24/h5,7,15-20,23,25H,2-3,6,8-9H2,1,4H3/b14-5+/t15-,16-,17-,18+,19-,20-/m1/s1",C=C1C[C@@H](OC(=O)/C(=C/CO)COC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@@H](O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.1627677919999,AYKIKNPTNIJPRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Helogyne apaloidea,7623679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Helogyne'],['Helogyne apaloidea'],6,3,7.5
8860,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AYKIKNPTNIJPRW-UDTPUXAFSA-N,"InChI=1S/C22H26O8/c1-10-7-15(25)17-11(2)8-16(19-12(3)21(26)30-20(19)18(10)17)29-22(27)14(5-6-23)9-28-13(4)24/h5,7,15-20,23,25H,2-3,6,8-9H2,1,4H3/b14-5+/t15-,16-,17-,18+,19-,20-/m1/s1",C=C1C[C@@H](OC(=O)/C(=C/CO)COC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@@H](O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.1627677919999,AYKIKNPTNIJPRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chaenactis douglasii,713194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Chaenactideae'],['Chaenactis'],['Chaenactis douglasii'],6,3,7.5
8861,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JGHRVXZPUCLANB-PHZAAGGESA-N,"InChI=1S/C22H26O8/c1-6-12(8-27-11(4)23)21(26)29-19-15-10(3)20(25)28-18(15)16-13(9(2)17(19)24)7-14-22(16,5)30-14/h6,13-19,24H,2-3,7-8H2,1,4-5H3/b12-6+/t13-,14+,15-,16-,17+,18+,19-,22+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@@H]1C[C@H]3O[C@@]3(C)[C@H]21,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,JGHRVXZPUCLANB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lasiolaena santosii,7603801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Lasiolaena'],['Lasiolaena santosii'],6,3,7.5
8862,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,CKYDUFMLFGHULX-UDTPUXAFSA-N,"InChI=1S/C22H26O8/c1-10-7-15(25)17-11(2)8-16(19-12(3)21(26)30-20(19)18(10)17)29-22(27)14(9-23)5-6-28-13(4)24/h5,7,15-20,23,25H,2-3,6,8-9H2,1,4H3/b14-5+/t15-,16-,17-,18+,19-,20-/m1/s1",C=C1C[C@@H](OC(=O)/C(=C/COC(C)=O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@@H](O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,CKYDUFMLFGHULX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Helogyne apaloidea,7623679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Helogyne'],['Helogyne apaloidea'],6,3,7.5
8863,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,COBQTOZVOKAIHU-BWKXFIOXSA-N,"InChI=1S/C22H26O8/c1-10(5-6-27-13(4)23)20(25)29-15-8-22(9-28-22)18-14(24)7-11(2)16(18)19-17(15)12(3)21(26)30-19/h5,7,14-19,24H,3,6,8-9H2,1-2,4H3/b10-5-/t14-,15+,16-,17+,18+,19-,22-/m0/s1",C=C1C(=O)O[C@H]2[C@H]3C(C)=C[C@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C\COC(C)=O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,COBQTOZVOKAIHU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Liatris pilosa,1082105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Liatris'],['Liatris pilosa'],6,3,7.5
8864,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HLEALBHOIZPSHG-BTZNYIOCSA-N,"InChI=1S/C22H26O8/c1-7-8(2)20(25)28-16-9(3)12-14(17-13(15(16)24)10(4)21(26)29-17)22(6)19(30-22)18(12)27-11(5)23/h7,13-19,24H,4H2,1-3,5-6H3/b8-7-/t13-,14+,15-,16-,17+,18+,19-,22+/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(=O)/C(C)=C\C)C(C)=C1[C@H](OC(C)=O)[C@H]3O[C@@]3(C)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,HLEALBHOIZPSHG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Montanoa tomentosa,1075868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Montanoa'],['Montanoa tomentosa'],6,3,7.5
8865,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZQAINRQXYZUDMF-WWKCLHGCSA-N,"InChI=1S/C22H26O8/c1-6-13(8-28-12(5)23)22(27)29-19-10(3)16-14(24)7-9(2)15(16)20-17(18(19)25)11(4)21(26)30-20/h6-7,14-20,24-25H,3-4,8H2,1-2,5H3/b13-6+/t14-,15+,16-,17-,18+,19-,20-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@H](OC(=O)/C(=C/C)COC(C)=O)C(=C)[C@H]1[C@@H]2C(C)=C[C@H]1O,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,ZQAINRQXYZUDMF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stylotrichium rotundifolium,5920907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stylotrichium'],['Stylotrichium rotundifolium'],6,3,7.5
8866,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QDXPVFREXDFFGU-PCNMBPDASA-N,"InChI=1S/C22H26O8/c1-9-13-7-8-21(5,26)15(13)17-14(10(2)19(24)28-17)18(27-12(4)23)16(9)29-20(25)22(6)11(3)30-22/h7-8,11,14-18,26H,2H2,1,3-6H3/t11-,14+,15+,16-,17+,18-,21+,22+/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C)C(C)=C1C=C[C@](C)(O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,QDXPVFREXDFFGU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Balsamorhiza sagittata,434097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Balsamorhiza'],['Balsamorhiza sagittata'],6,3,7.5
8867,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,SFKJILQRXVUOPX-WZTLTSTHSA-N,"InChI=1S/C22H26O8/c1-9-7-8-14-10(2)16(28-20(25)21(6)12(4)30-21)17(27-13(5)23)15-11(3)19(24)29-18(15)22(9,14)26/h7,12,15-18,26H,3,8H2,1-2,4-6H3/t12-,15-,16-,17-,18+,21+,22-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(=O)[C@@]1(C)O[C@@H]1C)C(C)=C1CC=C(C)[C@@]12O,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,SFKJILQRXVUOPX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Balsamorhiza sagittata,434097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Balsamorhiza'],['Balsamorhiza sagittata'],6,3,7.5
8868,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PVWFUOBUMUCKGB-FDFRDDJLSA-N,"InChI=1S/C22H26O8/c1-11-9-16(29-21(26)14(6-8-23)10-28-13(3)24)17-12(2)20(25)30-19(17)18-15(11)5-7-22(18,4)27/h5-7,15-19,23,27H,1-2,8-10H2,3-4H3/b14-6+/t15-,16+,17+,18-,19-,22-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)COC(C)=O)CC(=C)[C@@H]1C=C[C@](C)(O)[C@H]21,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,PVWFUOBUMUCKGB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Helogyne apaloidea,7623679.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Helogyne'],['Helogyne apaloidea'],6,3,7.5
8869,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,UWYJPRJAPVFDDT-HRQUSLGZSA-N,"InChI=1S/C22H26O8/c1-8-7-13(24)15-9(2)17(27-12(5)23)19(29-21(26)22(6)11(4)30-22)16-10(3)20(25)28-18(16)14(8)15/h7,11,13-14,16-19,24H,3H2,1-2,4-6H3/t11-,13+,14+,16+,17-,18-,19-,22+/m1/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@H](O)C3=C(C)[C@@H](OC(C)=O)[C@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,UWYJPRJAPVFDDT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Heliopsis helianthoides,661690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],6,3,7.5
8870,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QTJHMWUKJJQOAY-UDTPUXAFSA-N,"InChI=1S/C22H26O8/c1-10-7-16(29-22(27)14(9-24)5-6-23)19-12(3)21(26)30-20(19)18-11(2)8-15(17(10)18)28-13(4)25/h5,8,15-20,23-24H,1,3,6-7,9H2,2,4H3/b14-5+/t15-,16-,17-,18+,19-,20-/m1/s1",C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@@H](OC(C)=O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,QTJHMWUKJJQOAY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Garberia heterophylla,34663.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Garberia'],['Garberia heterophylla'],6,3,7.5
8871,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VNLQAVAJZIGXMH-XRNGNQAJSA-N,"InChI=1S/C22H26O8/c1-10(5-6-23)20(25)29-15-8-22(9-27-22)18-14(28-13(4)24)7-11(2)16(18)19-17(15)12(3)21(26)30-19/h5,7,14-19,23H,3,6,8-9H2,1-2,4H3/b10-5-/t14-,15+,16-,17+,18+,19+,22-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@H](OC(C)=O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,VNLQAVAJZIGXMH,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Eupatorium chinense,1032030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eupatorium'],['Eupatorium chinense'],6,3,7.5
8872,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ASUISTIQHYLSGU-ACNOXPBPSA-N,"InChI=1S/C22H26O8/c1-7-8(2)20(24)30-17-13-10(4)21(25)29-16(13)14-12(9(3)15(17)27-11(5)23)18-19(28-18)22(14,6)26/h7,13-19,26H,4H2,1-3,5-6H3/b8-7-/t13-,14-,15+,16-,17+,18+,19+,22-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C\C)[C@H](OC(C)=O)C(C)=C1[C@H]3O[C@H]3[C@@](C)(O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,ASUISTIQHYLSGU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Heliopsis helianthoides,661690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],6,3,7.5
8873,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VALWHQZJHBDGSZ-ACNOXPBPSA-N,"InChI=1S/C22H26O8/c1-7-8(2)20(24)29-15-9(3)12-14(22(6,26)19-18(12)28-19)16-13(10(4)21(25)30-16)17(15)27-11(5)23/h7,13-19,26H,4H2,1-3,5-6H3/b8-7-/t13-,14-,15+,16-,17+,18+,19+,22-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)[C@H](OC(=O)/C(C)=C\C)C(C)=C1[C@H]3O[C@H]3[C@@](C)(O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,VALWHQZJHBDGSZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Heliopsis helianthoides,661690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],6,3,7.5
8874,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VEADPODAIDAGDS-AMGZTXOWSA-N,"InChI=1S/C22H26O8/c1-9-13-7-8-21(5,26)15(13)17-14(10(2)19(24)28-17)18(16(9)27-12(4)23)29-20(25)22(6)11(3)30-22/h7-8,11,14-18,26H,2H2,1,3-6H3/t11-,14+,15+,16-,17+,18-,21-,22-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@H](OC(C)=O)C(C)=C1C=C[C@@](C)(O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,VEADPODAIDAGDS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Heliopsis helianthoides,661690.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Heliopsis'],['Heliopsis helianthoides'],6,3,7.5
8875,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XDWMWDMIPCSQNB-NKDHHQRPSA-N,"InChI=1S/C22H26O8/c1-9-7-8-22(26)11(3)16(27-13(5)23)18(29-20(25)21(6)12(4)30-21)14-10(2)19(24)28-17(14)15(9)22/h7,12,14-18,26H,2-3,8H2,1,4-6H3/t12-,14-,15+,16+,17-,18+,21-,22+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@H](OC(C)=O)C(=C)[C@]1(O)CC=C(C)[C@H]21,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,XDWMWDMIPCSQNB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Squamopappus skutchii,750176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Squamopappus'],['Squamopappus skutchii'],6,3,7.5
8876,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QTJHMWUKJJQOAY-UOFHURSLSA-N,"InChI=1S/C22H26O8/c1-10-7-16(29-22(27)14(9-24)5-6-23)19-12(3)21(26)30-20(19)18-11(2)8-15(17(10)18)28-13(4)25/h5,8,15-20,23-24H,1,3,6-7,9H2,2,4H3/b14-5+/t15-,16+,17+,18-,19+,20+/m0/s1",C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@H](OC(C)=O)[C@@H]12,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,QTJHMWUKJJQOAY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Eupatorium chinense,1032030.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Eupatorium'],['Eupatorium chinense'],6,3,7.5
8877,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LXKUVYQBYVNGFE-AAJRMILJSA-N,"InChI=1S/C22H26O8/c1-6-13(8-28-12(5)23)22(27)30-20-17-11(4)21(26)29-19(17)15-9(2)7-14(24)16(15)10(3)18(20)25/h6-7,14-20,24-25H,3-4,8H2,1-2,5H3/b13-6+/t14-,15+,16-,17+,18-,19-,20+/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@H]1[C@@H]2C(C)=C[C@H]1O,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,LXKUVYQBYVNGFE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Stylotrichium rotundifolium,5920907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stylotrichium'],['Stylotrichium rotundifolium'],6,3,7.5
8878,1609,987,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LXKUVYQBYVNGFE-AAJRMILJSA-N,"InChI=1S/C22H26O8/c1-6-13(8-28-12(5)23)22(27)30-20-17-11(4)21(26)29-19(17)15-9(2)7-14(24)16(15)10(3)18(20)25/h6-7,14-20,24-25H,3-4,8H2,1-2,5H3/b13-6+/t14-,15+,16-,17+,18-,19-,20+/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)COC(C)=O)[C@H](O)C(=C)[C@H]1[C@@H]2C(C)=C[C@H]1O,C22H26O8,pos_1_1proton1acetonitrile,418.162767792,LXKUVYQBYVNGFE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Lasiolaena morii,5920860.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Lasiolaena'],['Lasiolaena morii'],6,3,7.5
8879,1605,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YLKBTONOZYPFLU-WOCNSCFESA-N,"InChI=1S/C26H26O11/c1-35-20-12-16(4-9-18(20)28)6-11-23(31)37-26(25(33)34)13-19(29)24(32)21(14-26)36-22(30)10-5-15-2-7-17(27)8-3-15/h2-12,19,21,24,27-29,32H,13-14H2,1H3,(H,33,34)/b10-5+,11-6+/t19-,21+,24+,26-/m1/s1",COc1cc(/C=C/C(=O)O[C@]2(C(=O)O)C[C@@H](O)[C@H](O)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C2)ccc1O,C26H26O11,pos_1_1proton,514.147511652,YLKBTONOZYPFLU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Urochloa ruziziensis,322302.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Urochloa'],['Urochloa ruziziensis'],6,3,7.5
8880,1605,497,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YLKBTONOZYPFLU-WOCNSCFESA-N,"InChI=1S/C26H26O11/c1-35-20-12-16(4-9-18(20)28)6-11-23(31)37-26(25(33)34)13-19(29)24(32)21(14-26)36-22(30)10-5-15-2-7-17(27)8-3-15/h2-12,19,21,24,27-29,32H,13-14H2,1H3,(H,33,34)/b10-5+,11-6+/t19-,21+,24+,26-/m1/s1",COc1cc(/C=C/C(=O)O[C@]2(C(=O)O)C[C@@H](O)[C@H](O)[C@@H](OC(=O)/C=C/c3ccc(O)cc3)C2)ccc1O,C26H26O11,pos_1_1proton,514.147511652,YLKBTONOZYPFLU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Urochloa decumbens,896864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Urochloa'],['Urochloa decumbens'],6,3,7.5
8881,1604,49,Terpenoids,Diterpenoids,Labdane diterpenoids,0.37110168,ISDB,RCPRYCIUHLTHOL-MOXWOTFGSA-N,"InChI=1S/C22H32O4/c1-14-7-8-18-21(3,4)10-6-11-22(18,5)19(14)17(26-15(2)23)13-16-9-12-25-20(16)24/h9,17-19H,1,6-8,10-13H2,2-5H3/t17-,18+,19-,22+/m1/s1",C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1[C@@H](CC1=CCOC1=O)OC(C)=O,C22H32O4,,360.230059504,RCPRYCIUHLTHOL,Terpenoids,Diterpenoids,Labdane diterpenoids,Cadlina luteomarginata,139801.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Cadlinidae'],['Unknown'],['Cadlina'],['Cadlina luteomarginata'],4,3,6.9844067096710205
8882,1603,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AKNILCMFRRDTEY-NUGKWEEESA-N,"InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1",COc1cc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C23H28O13,pos_1_1proton1ammonium,512.1529909559998,AKNILCMFRRDTEY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
8883,1603,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,AKNILCMFRRDTEY-NUGKWEEESA-N,"InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1",COc1cc(C(=O)O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)ccc1O,C23H28O13,pos_1_1proton1ammonium,512.1529909559998,AKNILCMFRRDTEY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
8884,1602,357,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.0,MS1_match,CFMWWRWPGBAHFT-GJZGRUSLSA-N,"InChI=1S/C15H23N3/c1-17-7-3-5-14(17)12-9-13(11-16-10-12)15-6-4-8-18(15)2/h9-11,14-15H,3-8H2,1-2H3/t14-,15-/m0/s1",CN1CCC[C@H]1c1cncc([C@@H]2CCCN2C)c1,C15H23N3,pos_1_1proton1methanol,245.189197736,CFMWWRWPGBAHFT,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5
8885,1600,-1,,,,0.73662835,ISDB,OHEYCHKLBCPRLZ-VHCZEJTMSA-N,"InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(24-10)23-9-3-1-7(5-8(9)17)2-4-11(18)19/h1-5,10,12-17,20-22H,6H2,(H,18,19)/b4-2+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H18O9,,342.09508215599993,OHEYCHKLBCPRLZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis tashiroi,21287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis tashiroi'],5,0,7.946513414382935
8886,1599,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBOIBZOQYLSCA-ZFPHAMITSA-N,"InChI=1S/C16H22O5/c1-7-4-12(18)14-10(6-20-3)16(19)21-15(14)13-8(2)11(17)5-9(7)13/h9-15,17-18H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13-,14+,15+/m1/s1",C=C1[C@H]2[C@@H]3OC(=O)[C@H](COC)[C@H]3[C@H](O)CC(=C)[C@H]2C[C@H]1O,C16H22O5,pos_1_1proton1ethylamine,294.146723804,OHBOIBZOQYLSCA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
8887,1599,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBOIBZOQYLSCA-ZFPHAMITSA-N,"InChI=1S/C16H22O5/c1-7-4-12(18)14-10(6-20-3)16(19)21-15(14)13-8(2)11(17)5-9(7)13/h9-15,17-18H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13-,14+,15+/m1/s1",C=C1[C@H]2[C@@H]3OC(=O)[C@H](COC)[C@H]3[C@H](O)CC(=C)[C@H]2C[C@H]1O,C16H22O5,pos_1_1proton1ethylamine,294.146723804,OHBOIBZOQYLSCA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
8888,1591,-1,,,,0.21036994,ISDB,,,,,,,QYTPGOPLNFESQC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8414797782897949
8889,1588,-1,,,,0.20368423,ISDB,RLGBUTVIBWFTRW-IIEYBPOLSA-N,"InChI=1S/C27H36O3/c1-24(2)20-11-13-27-12-10-18(26(4,30)16-27)14-21(27)25(20,3)15-19(23(24)29)22(28)17-8-6-5-7-9-17/h5-10,12,18-22,28,30H,11,13-16H2,1-4H3/t18-,19+,20+,21-,22+,25+,26-,27+/m0/s1",CC1(C)C(=O)[C@@H]([C@H](O)c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@H](C[C@H]12)[C@@](C)(O)C3,C27H36O3,,408.266445012,RLGBUTVIBWFTRW,Terpenoids,Diterpenoids,Atisane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,0,4.814736902713776
8890,1585,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60998344,ISDB,WRHGORWNJGOVQY-ZNMIVQPWSA-N,"InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14+,15-/m0/s1",C=C1CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]12,C15H24,,204.187800768,WRHGORWNJGOVQY,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,12.939933776855469
8891,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,3,7.5
8892,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,3,7.5
8893,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-PHXIFTSBSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14-,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon gentianoides,505859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon gentianoides'],6,3,7.5
8894,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon linarioides,998381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon linarioides'],6,3,7.5
8895,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon roseus,7053913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon roseus'],6,3,7.5
8896,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,3,7.5
8897,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,3,7.5
8898,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,3,7.5
8899,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon whippleanus,23649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon whippleanus'],6,3,7.5
8900,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon rydbergii,673713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon rydbergii'],6,3,7.5
8901,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barbatus,899968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barbatus'],6,3,7.5
8902,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,3,7.5
8903,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,3,7.5
8904,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago indica,217276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago indica'],6,3,7.5
8905,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago psyllium,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,3,7.5
8906,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago afra,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,3,7.5
8907,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,3,7.5
8908,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,3,7.5
8909,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago sempervirens,811311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago sempervirens'],6,3,7.5
8910,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon parryi,465960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon parryi'],6,3,7.5
8911,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barrettiae,543219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barrettiae'],6,3,7.5
8912,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1proton1ammonium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,3,7.5
8913,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,3,7.5
8914,1582,363,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OQQDSUSKGYTVLM-BTANCPAZSA-N,"InChI=1S/C16H24O9/c1-6-2-9(18)11-7(6)4-23-5-8(11)15(22)25-16-14(21)13(20)12(19)10(3-17)24-16/h5-7,9-14,16-21H,2-4H2,1H3/t6-,7-,9-,10-,11+,12-,13+,14-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2C(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=COC[C@@H]21,C16H24O9,pos_1_1proton1ammonium,360.142032348,OQQDSUSKGYTVLM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,3,7.5
8915,1581,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Bombyx mori,440274.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Bombycidae'],['Unknown'],['Bombyx'],['Bombyx mori'],4,0,7.166456937789917
8916,1581,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Galleria mellonella,952256.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Pyralidae'],['Unknown'],['Galleria'],['Galleria mellonella'],4,0,7.166456937789917
8917,1581,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,0,7.166456937789917
8918,1581,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,0,7.166456937789917
8919,1580,467,Terpenoids,Monoterpenoids,Atisane diterpenoids,0.0,MS1_match,BXOURKNXQXLKRK-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3",CC(C)=CCCC(C)(O)C1CO1,C10H18O2,pos_1_1proton1ammonium,170.130679816,BXOURKNXQXLKRK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Croton lachnostachyus,421305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sarcopetalus'],6,2,7.0
8920,1580,467,Terpenoids,Monoterpenoids,Atisane diterpenoids,0.0,MS1_match,BXOURKNXQXLKRK-UHFFFAOYSA-N,"InChI=1S/C10H18O2/c1-8(2)5-4-6-10(3,11)9-7-12-9/h5,9,11H,4,6-7H2,1-3H3",CC(C)=CCCC(C)(O)C1CO1,C10H18O2,pos_1_1proton1ammonium,170.130679816,BXOURKNXQXLKRK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Croton sarcopetalus,421305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sarcopetalus'],6,2,7.0
8921,1580,467,Terpenoids,Monoterpenoids,Atisane diterpenoids,0.0,MS1_match,CDEBGVXOFDWUAF-UTLUCORTSA-N,"InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1",CC1=C[C@H](O)[C@@H](C(C)C)C[C@@H]1O,C10H18O2,pos_1_1proton1ammonium,170.130679816,CDEBGVXOFDWUAF,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Croton tetradenius,3913325.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton tetradenius'],6,2,7.0
8922,1580,467,Terpenoids,Monoterpenoids,Atisane diterpenoids,0.0,MS1_match,CDEBGVXOFDWUAF-UTLUCORTSA-N,"InChI=1S/C10H18O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8-12H,5H2,1-3H3/t8-,9+,10+/m1/s1",CC1=C[C@H](O)[C@@H](C(C)C)C[C@@H]1O,C10H18O2,pos_1_1proton1ammonium,170.130679816,CDEBGVXOFDWUAF,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Croton regelianus,3913934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton regelianus'],6,2,7.0
8923,1579,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JDXJTMWWGZXTGE-FVSNMVKCSA-N,"InChI=1S/C33H42O9/c1-19-14-15-32(7,8)28(37)17-27(39-22(4)34)20(2)16-26-29(41-31(38)25-12-10-9-11-13-25)21(3)18-33(26,42-24(6)36)30(19)40-23(5)35/h9-16,19,21,26-27,29-30H,17-18H2,1-8H3/b15-14-,20-16-/t19-,21-,26+,27-,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O9,pos_1_1proton1ammonium,582.2828829239999,JDXJTMWWGZXTGE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
8924,1579,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,NGDYOIKDURHVFB-HSFANBJSSA-N,"InChI=1S/C33H42O9/c1-20-15-16-32(6,7)28(37)18-26(39-22(3)34)13-14-27-30(41-29(38)17-25-11-9-8-10-12-25)21(2)19-33(27,42-24(5)36)31(20)40-23(4)35/h8-16,20-21,26-27,30-31H,17-19H2,1-7H3/b14-13+,16-15+/t20-,21+,26+,27+,30+,31+,33-/m1/s1",CC(=O)O[C@H]1/C=C/[C@H]2[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)/C=C/C(C)(C)C(=O)C1,C33H42O9,pos_1_1proton1ammonium,582.282882924,NGDYOIKDURHVFB,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
8925,1578,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
8926,1577,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.56589186,ISDB,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,,233.090806228,BCRXKWOQVFKZAG,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,0,5.2635674476623535
8927,1577,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.56589186,ISDB,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,,233.090806228,BCRXKWOQVFKZAG,,,,Rorippa sylvestris,1082739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa sylvestris'],3,0,5.2635674476623535
8928,1577,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.56589186,ISDB,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,,233.090806228,BCRXKWOQVFKZAG,,,,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],3,0,5.2635674476623535
8929,1572,-1,,,,0.0,MS1_match,ZZYWILWDFCFHLX-VHHDHVISSA-N,"InChI=1S/C29H45NO3/c1-16-12-25(33-18(3)31)27-17(2)26-24(30(27)15-16)14-23-21-7-6-19-13-20(32)8-10-28(19,4)22(21)9-11-29(23,26)5/h6,16-17,20-27,32H,7-15H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C29H45NO3,pos_1_minus1proton1calcium,455.3399443,ZZYWILWDFCFHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,0,8.0
8930,1572,-1,,,,0.0,MS1_match,MCQNPWNREVNWDQ-YYQHPOQZSA-N,"InChI=1S/C29H45NO3/c1-17-8-13-29(30-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)31)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,30H,7-16H2,1-5H3/t17?,18?,21?,22?,23?,24?,25?,26?,27-,28-,29+/m0/s1",CC(=O)OC1CC[C@@]2(C)C(=CCC3C4CC5O[C@]6(CCC(C)CN6)C(C)C5[C@@]4(C)CCC32)C1,C29H45NO3,pos_1_minus1proton1calcium,455.3399443,MCQNPWNREVNWDQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum umbelliferum,3869820.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum umbelliferum'],8,0,8.0
8931,1571,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,KTHADMDGDNYQRX-UHFFFAOYSA-N,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",COC(=O)Cc1c[nH]c2ccccc12,C11H11NO2,pos_1_1proton1methanol,189.078978592,KTHADMDGDNYQRX,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Ricinus communis,339346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Ricinus'],['Ricinus communis'],6,0,6.0
8932,1571,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton1isopropanol,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],6,0,6.0
8933,1571,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,LDLOCPJLLDCCGO-UHFFFAOYSA-N,"InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3",CC(=O)OCCc1ccc(O)cc1,C10H12O3,pos_1_1proton1acetonitrile,180.078644244,LDLOCPJLLDCCGO,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],6,0,6.0
8934,1571,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,CDQGQFPAQVLTLZ-HNAYVOBHSA-N,"InChI=1S/C20H24O6/c1-24-17-6-5-13(10-18(17)25-2)19-15(11-22)14-8-12(4-3-7-21)9-16(23)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1",COc1ccc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)cc1OC,C20H24O6,pos_2_2proton2acetonitrile,360.15728848799995,CDQGQFPAQVLTLZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],6,0,6.0
8935,1571,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,CDQGQFPAQVLTLZ-HNAYVOBHSA-N,"InChI=1S/C20H24O6/c1-24-17-6-5-13(10-18(17)25-2)19-15(11-22)14-8-12(4-3-7-21)9-16(23)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1",COc1ccc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)cc1OC,C20H24O6,pos_2_2proton2acetonitrile,360.15728848799995,CDQGQFPAQVLTLZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],6,0,6.0
8936,1571,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,ASNYCVAGBSOWNP-ZETCQYMHSA-N,"InChI=1S/C12H12O3/c1-6-3-9-8(5-7(2)11(9)13)10(4-6)12(14)15/h3-4,7H,5H2,1-2H3,(H,14,15)/t7-/m0/s1",Cc1cc(C(=O)O)c2c(c1)C(=O)[C@@H](C)C2,C12H12O3,pos_1_1proton1ammonium,204.078644244,ASNYCVAGBSOWNP,,,,Croton steenkampianus,1025277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton steenkampianus'],6,0,6.0
8937,1571,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,IYCVYYJRNGVIDZ-UHFFFAOYSA-N,"InChI=1S/C12H12O3/c1-14-11-6-8-3-4-10(13)5-9(8)7-12(11)15-2/h3-4,6-7H,5H2,1-2H3",COc1cc2c(cc1OC)CC(=O)C=C2,C12H12O3,pos_1_1proton1ammonium,204.078644244,IYCVYYJRNGVIDZ,,,,Mallotus resinosus,188263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus resinosus'],6,0,6.0
8938,1570,-1,,,,0.0,MS1_match,FEMZDTCUQKSHTJ-PCUYSKIASA-N,"InChI=1S/C18H27NO8/c1-10-11(2)18(24,9-20)16(22)27-13-5-7-19(25)6-4-12(14(13)19)8-26-15(21)17(10,3)23/h4,10-11,13-14,20,23-24H,5-9H2,1-3H3/t10-,11?,13+,14+,17?,18?,19?/m0/s1",CC1[C@H](C)C(C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC(=O)C1(O)CO)[C@@H]23,C18H27NO8,pos_1_1proton,385.1736668239999,FEMZDTCUQKSHTJ,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio latifolius,136437.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio latifolius'],6,0,6.0
8939,1570,-1,,,,0.0,MS1_match,MUEZIDNXMWEAOM-FAOXUISGSA-N,"InChI=1S/C16H20O8/c1-8(18)2-3-9-4-5-10(19)11(6-9)23-16-15(22)14(21)13(20)12(7-17)24-16/h2-6,12-17,19-22H,7H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",CC(=O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1,C16H20O8,pos_1_1proton1ethylamine,340.1158176,MUEZIDNXMWEAOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Helichrysum arenarium,338550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum arenarium'],6,0,6.0
8940,1570,-1,,,,0.0,MS1_match,SLQMJPXBMDHAHI-UHFFFAOYSA-N,"InChI=1S/C8H12O4/c9-6-1-3-8(12,4-2-6)5-7(10)11/h12H,1-5H2,(H,10,11)",O=C(O)CC1(O)CCC(=O)CC1,C8H12O4,pos_2MHCH3CN,172.073558864,SLQMJPXBMDHAHI,,,,Packera coahuilensis,7608645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Packera'],['Packera coahuilensis'],6,0,6.0
8941,1570,-1,,,,0.0,MS1_match,BVUOEMQPQZHKOS-BKKHBGKHSA-N,"InChI=1S/C18H24O8/c1-8(19)24-7-12-10-4-5-11-13(21)6-14(25-9(2)20)18(3,23)15(11)16(10)26-17(12)22/h11,13-16,21,23H,4-7H2,1-3H3/t11?,13-,14+,15+,16+,18-/m1/s1",CC(=O)OCC1=C2CCC3[C@H](O)C[C@H](OC(C)=O)[C@@](C)(O)[C@@H]3[C@H]2OC1=O,C18H24O8,pos_1_1proton1ammonium,368.147117728,BVUOEMQPQZHKOS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea fragrantissima,245230.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea fragrantissima'],6,0,6.0
8942,1570,-1,,,,0.0,MS1_match,XCRGUWJZEOHKGC-IYTWNDGFSA-N,"InChI=1S/C18H24O8/c1-3-12(9-7-5-4-6-8-10-14(20)24-2)25-18-17(23)16(22)15(21)13(11-19)26-18/h3,12-13,15-19,21-23H,1,6,8,10-11H2,2H3/t12-,13-,15-,16+,17-,18-/m1/s1",C=C[C@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,XCRGUWJZEOHKGC,,,,Helianthus tuberosus,515709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus tuberosus'],6,0,6.0
8943,1570,-1,,,,0.0,MS1_match,LKSYWMYIMNIGES-BXVGOGIESA-N,"InChI=1S/C18H24O8/c1-7-14-15(26-17(7)23)12(24-8(2)19)5-10-11(21)6-13(22)18(10,4)16(14)25-9(3)20/h10-16,21-22H,1,5-6H2,2-4H3/t10-,11+,12-,13-,14-,15+,16-,18+/m1/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@]1(C)[C@H](O)C[C@H](O)[C@H]1C[C@H]2OC(C)=O,C18H24O8,pos_1_1proton1ammonium,368.147117728,LKSYWMYIMNIGES,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Gaillardia pulchella,1001127.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Gaillardia'],['Gaillardia pulchella'],6,0,6.0
8944,1570,-1,,,,0.0,MS1_match,HSXZFKWYUYQDQF-UYTYNIKBSA-N,"InChI=1S/C18H24O8/c1-11(19)24-10-14-15(21)16(22)17(25-12(2)20)18(26-14)23-9-8-13-6-4-3-5-7-13/h3-7,14-18,21-22H,8-10H2,1-2H3/t14-,15-,16+,17-,18-/m1/s1",CC(=O)OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O,C18H24O8,pos_1_1proton1ammonium,368.147117728,HSXZFKWYUYQDQF,,,,Gaillardia aestivalis,388634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Gaillardia'],['Gaillardia aestivalis'],6,0,6.0
8945,1570,-1,,,,0.0,MS1_match,OPAWQGXUUDQIPB-GDXOXYCMSA-N,"InChI=1S/C18H24O8/c1-10(19)24-13-8-17(3,21)18(22)6-5-16(2,26-18)7-12-14(13)11(9-23-4)15(20)25-12/h7,13,21-22H,5-6,8-9H2,1-4H3/b12-7+/t13-,16+,17+,18-/m0/s1",COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O,C18H24O8,pos_1_1proton1ammonium,368.147117728,OPAWQGXUUDQIPB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Pseudelephantopus spicatus,124039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Pseudelephantopus'],['Pseudelephantopus spicatus'],6,0,6.0
8946,1570,-1,,,,0.0,MS1_match,OPAWQGXUUDQIPB-WZOXASRJSA-N,"InChI=1S/C18H24O8/c1-10(19)24-13-8-17(3,21)18(22)6-5-16(2,26-18)7-12-14(13)11(9-23-4)15(20)25-12/h7,13,21-22H,5-6,8-9H2,1-4H3/b12-7+/t13-,16-,17+,18+/m1/s1",COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O,C18H24O8,pos_1_1proton1ammonium,368.14711772799984,OPAWQGXUUDQIPB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chrysolaena verbascifolia,5739310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Chrysolaena'],['Chrysolaena verbascifolia'],6,0,6.0
8947,1570,-1,,,,0.0,MS1_match,OPAWQGXUUDQIPB-GDXOXYCMSA-N,"InChI=1S/C18H24O8/c1-10(19)24-13-8-17(3,21)18(22)6-5-16(2,26-18)7-12-14(13)11(9-23-4)15(20)25-12/h7,13,21-22H,5-6,8-9H2,1-4H3/b12-7+/t13-,16+,17+,18-/m0/s1",COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@@H]2OC(C)=O)OC1=O,C18H24O8,pos_1_1proton1ammonium,368.147117728,OPAWQGXUUDQIPB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Pseudelephantopus spicatus,124039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Pseudelephantopus'],['Pseudelephantopus spicatus'],6,0,6.0
8948,1570,-1,,,,0.0,MS1_match,OPAWQGXUUDQIPB-WZOXASRJSA-N,"InChI=1S/C18H24O8/c1-10(19)24-13-8-17(3,21)18(22)6-5-16(2,26-18)7-12-14(13)11(9-23-4)15(20)25-12/h7,13,21-22H,5-6,8-9H2,1-4H3/b12-7+/t13-,16-,17+,18+/m1/s1",COCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@@](C)(O)C[C@H]2OC(C)=O)OC1=O,C18H24O8,pos_1_1proton1ammonium,368.14711772799984,OPAWQGXUUDQIPB,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Chrysolaena verbascifolia,5739310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Chrysolaena'],['Chrysolaena verbascifolia'],6,0,6.0
8949,1570,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1acetonitrile,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Taraxacum officinale,451182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum officinale'],6,0,6.0
8950,1570,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1acetonitrile,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Taraxacum platycarpum,793946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum platycarpum'],6,0,6.0
8951,1570,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1acetonitrile,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Taraxacum officinale,451182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum officinale'],6,0,6.0
8952,1570,-1,,,,0.0,MS1_match,QFYFLJZBZITPGX-IBEHDNSVSA-N,"InChI=1S/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3/t12-,13-,14+,15-,16-/m1/s1",COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H24O8,pos_1_1proton1acetonitrile,344.1471177279999,QFYFLJZBZITPGX,Shikimates and Phenylpropanoids,,,Taraxacum platycarpum,793946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum platycarpum'],6,0,6.0
8953,1570,-1,,,,0.0,MS1_match,NAQCTYLFZQYNHK-OAQYLSRUSA-N,"InChI=1S/C22H30O4/c1-4-5-6-7-8-9-10-22(24)25-15-16(2)21-14-19-13-18(17(3)23)11-12-20(19)26-21/h11-13,21H,2,4-10,14-15H2,1,3H3/t21-/m1/s1",C=C(COC(=O)CCCCCCCC)[C@H]1Cc2cc(C(C)=O)ccc2O1,C22H30O4,pos_2MFe,358.21440943999994,NAQCTYLFZQYNHK,,,,Helichrysum italicum,54015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum italicum'],6,0,6.0
8954,1570,-1,,,,0.0,MS1_match,CYSHNJQMYORNJI-YUVXSKOASA-N,"InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1",CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1,C22H30O4,pos_2MFe,358.21440944,CYSHNJQMYORNJI,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Blumea obliqua,7607339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Blumea'],['Blumea obliqua'],6,0,6.0
8955,1570,-1,,,,0.0,MS1_match,CYSHNJQMYORNJI-YUVXSKOASA-N,"InChI=1S/C22H30O4/c1-14(2)22(25)12-11-21(4)10-9-15(3)13-18(19(21)22)26-20(24)16-5-7-17(23)8-6-16/h5-9,14,18-19,23,25H,10-13H2,1-4H3/t18-,19+,21-,22+/m0/s1",CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)cc2)C1,C22H30O4,pos_2MFe,358.21440944,CYSHNJQMYORNJI,Terpenoids,Sesquiterpenoids,Daucane sesquiterpenoids,Blumea tenella,126658.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Blumea'],['Blumea tenella'],6,0,6.0
8956,1570,-1,,,,0.0,MS1_match,NZVOYOFABUYBQT-YHINDDMVSA-N,"InChI=1S/C22H30O4/c1-15-18(7-6-17-8-11-25-13-17)22(4)10-5-9-21(3,14-23)20(22)12-19(15)26-16(2)24/h8,11,13-14,18-20H,1,5-7,9-10,12H2,2-4H3/t18-,19+,20-,21-,22+/m1/s1",C=C1[C@@H](OC(C)=O)C[C@H]2[C@@](C)(CCC[C@]2(C)C=O)[C@@H]1CCc1ccoc1,C22H30O4,pos_2MFe,358.21440944,NZVOYOFABUYBQT,Terpenoids,Diterpenoids,Labdane diterpenoids,Austroeupatorium chaparense,7602841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Austroeupatorium'],['Austroeupatorium chaparense'],6,0,6.0
8957,1570,-1,,,,0.0,MS1_match,MQCGOHKLQDBFSP-UHFFFAOYSA-N,"InChI=1S/C17H23NO7/c1-3-9-6-13(20)17(2,23)16(22)24-8-10-11(19)7-18-5-4-12(14(10)18)25-15(9)21/h3,10-12,14,19,23H,4-8H2,1-2H3",CC=C1CC(=O)C(C)(O)C(=O)OCC2C(O)CN3CCC(OC1=O)C23,C17H23NO7,pos_1_1proton1methanol,353.147452076,MQCGOHKLQDBFSP,Alkaloids,Ornithine alkaloids,Pyrrolizidine alkaloids,Senecio syringifolius,6057028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio syringifolius'],6,0,6.0
8958,1570,-1,,,,0.0,MS1_match,WYVKBAUSAOYEHR-UHFFFAOYSA-N,"InChI=1S/C16H20O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,9-11,13-15,17-18,20-23H,1-2H3",COc1cc(O)c2c(c1)C(O)C1C(C2=O)C(O)C(O)C(C)(O)C1O,C16H20O8,pos_1_1proton1ethylamine,340.1158176,WYVKBAUSAOYEHR,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Urospermum picroides,747021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Urospermum'],['Urospermum picroides'],6,0,6.0
8959,1570,-1,,,,0.0,MS1_match,WYVKBAUSAOYEHR-UHFFFAOYSA-N,"InChI=1S/C16H20O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,9-11,13-15,17-18,20-23H,1-2H3",COc1cc(O)c2c(c1)C(O)C1C(C2=O)C(O)C(O)C(C)(O)C1O,C16H20O8,pos_1_1proton1ethylamine,340.1158176,WYVKBAUSAOYEHR,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Urospermum picroides,747021.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Urospermum'],['Urospermum picroides'],6,0,6.0
8960,1568,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.41458854,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.15835416316986
8961,1568,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.41458854,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.15835416316986
8962,1568,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.41458854,ISDB,CDWIZINAAVFHAS-UBHSHLNASA-N,"InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(C)=CCC3=C(C=O)CC[C@@H]12,C15H16O3,,244.109944372,CDWIZINAAVFHAS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.15835416316986
8963,1566,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49838707,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.493548274040222
8964,1566,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49838707,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cirsium carolinianum,3894747.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium carolinianum'],7,3,10.493548274040222
8965,1566,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49838707,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.493548274040222
8966,1566,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49838707,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,10.493548274040222
8967,1566,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49838707,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,3,10.493548274040222
8968,1566,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49838707,ISDB,NETSQGRTUNRXEO-XUXIUFHCSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1",C=C1CC[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,10.493548274040222
8969,1566,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.49838707,ISDB,NETSQGRTUNRXEO-UHFFFAOYSA-N,"InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2",C=C1C(=O)OC2C1CCC(=C)C1CCC(=C)C12,C15H18O2,,230.130679816,NETSQGRTUNRXEO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,3,10.493548274040222
8970,1565,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,TUYMOSZNDXCMQM-GLPNJXFDSA-N,"InChI=1S/C31H38O7/c1-15(2)27(34)38-31-25(29(31,6)7)21-14-17(4)24(33)22-20(13-16(3)23(22)32)30(21,36)18(5)26(31)37-28(35)19-11-9-8-10-12-19/h8-15,18,20-22,24-26,33,36H,1-7H3/t18-,20-,21+,22-,24-,25-,26-,30+,31-/m1/s1",CC1=C[C@@H]2[C@H](C1=O)[C@H](O)C(C)=C[C@H]1[C@@H]3C(C)(C)[C@]3(OC(=O)C(C)C)[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@]21O,C31H38O7,pos_1_1proton,522.2617535559999,TUYMOSZNDXCMQM,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia dendroides,825705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia dendroides'],8,2,9.0
8971,1565,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,2,9.0
8972,1565,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],8,2,9.0
8973,1565,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,2,9.0
8974,1565,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],8,2,9.0
8975,1563,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,DXLUNIWVHZZSPK-WDCZJNDASA-N,"InChI=1S/C6H11NO2/c1-3-4(2)9-6(8)5(3)7/h3-5H,7H2,1-2H3/t3-,4-,5+/m1/s1",C[C@H]1[C@H](N)C(=O)O[C@@H]1C,C6H11NO2,pos_1_1proton1ethylamine,129.078978592,DXLUNIWVHZZSPK,,,,Quararibea funebris,5762173.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Quararibea'],['Quararibea funebris'],6,0,6.0
8976,1562,-1,,,,0.0,MS1_match,ZBJCSWVKUJLAAQ-SXJDHWIHSA-N,"InChI=1S/C32H46O6/c1-17(15-33)18(2)27(36)28(37)20(4)26-24(38-21(5)34)14-30(7)25-9-8-22-19(3)23(35)10-11-31(22)16-32(25,31)13-12-29(26,30)6/h10-11,17,19-20,22,24-26,28,33,37H,2,8-9,12-16H2,1,3-7H3/t17-,19-,20-,22-,24-,25-,26-,28+,29+,30-,31+,32-/m0/s1",C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO,C32H46O6,pos_1_1proton,526.3294391919999,ZBJCSWVKUJLAAQ,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],6,0,6.0
8977,1561,1341,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
8978,1561,1341,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-QZNXAUJSSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34+,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Datura metel,689835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura metel'],6,3,7.5
8979,1561,1341,Fatty acids,Sphingolipids,Neutral glycosphingolipids,0.0,MS1_match,HOMYIYLRRDTKAA-ZMHRNMBZSA-N,"InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26+/t32-,33+,34?,35+,36+,37-,38+,40+/m0/s1",CCCCCCCCC/C=C\CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)CCCCCCCCCCCCCC,C40H75NO9,pos_1_1proton,713.54418298,HOMYIYLRRDTKAA,Fatty acids,Sphingolipids,Neutral glycosphingolipids,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,3,7.5
8980,1559,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
8981,1559,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1proton1ammonium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
8982,1557,621,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1sodium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
8983,1557,621,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,UXSACQOOWZMGSE-RWORTQBESA-N,"InChI=1S/C22H26O12/c23-7-12-14(26)15(27)16(28)21(31-12)33-20-13-11(5-6-30-20)17(18-22(13,8-24)34-18)32-19(29)9-1-3-10(25)4-2-9/h1-6,11-18,20-21,23-28H,7-8H2/t11-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1,C22H26O12,pos_1_1sodium,482.1424262719999,UXSACQOOWZMGSE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
8984,1553,-1,,,,0.0,MS1_match,WPGYCMWKXXCJMW-WXEXDPBMSA-N,"InChI=1S/C15H26O2/c1-6-15(5,17)12-8-10-13(2)9-7-11-14(3,4)16/h6-7,10-11,16-17H,1,8-9,12H2,2-5H3/b11-7+,13-10+/t15-/m1/s1",C=C[C@@](C)(O)CC/C=C(\C)C/C=C/C(C)(C)O,C15H26O2,pos_1_1proton1methanol,238.193280072,WPGYCMWKXXCJMW,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
8985,1553,-1,,,,0.0,MS1_match,TZCKNDPYYKEPHO-WAYTWBJWSA-N,"InChI=1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3/b13-8+/t14-,15+/m0/s1",C=C[C@@](C)(O)CC/C=C(\C)C[C@@H](O)C=C(C)C,C15H26O2,pos_1_1proton1methanol,238.193280072,TZCKNDPYYKEPHO,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
8986,1553,-1,,,,0.0,MS1_match,LOLOOEMMLLRJKC-ZSAUSMIDSA-N,"InChI=1S/C15H26O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h11-14,16-17H,1,4-9H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1",C=C(C)[C@@H]1CC[C@@]2(C1)[C@@H](CO)C[C@@H](O)C[C@H]2C,C15H26O2,pos_1_1proton1methanol,238.193280072,LOLOOEMMLLRJKC,Terpenoids,Sesquiterpenoids,Spirovetivane sesquiterpenoids,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,0,8.0
8987,1550,-1,,,,0.0,MS1_match,GRHQTTJLYWYUIY-HFCWVSNDSA-N,"InChI=1S/C27H38O4/c1-24-12-13-27(16-24)19(15-21(24)29)14-20(31-23(30)18-8-5-4-6-9-18)22-25(2,17-28)10-7-11-26(22,27)3/h4-6,8-9,19-22,28-29H,7,10-17H2,1-3H3/t19-,20+,21-,22-,24-,25-,26-,27-/m0/s1",C[C@]12CC[C@]3(C1)[C@@H](C[C@@H](OC(=O)c1ccccc1)[C@H]1[C@](C)(CO)CCC[C@@]13C)C[C@@H]2O,C27H38O4,pos_1_minus1proton1iron,426.277009696,GRHQTTJLYWYUIY,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,0,6.0
8988,1550,-1,,,,0.0,MS1_match,WGSYIFPPMZUQAN-BRNZMSAPSA-N,"InChI=1S/C27H38O4/c1-19(13-16-28)11-12-22-20(2)17-23(31-25(30)21-9-6-5-7-10-21)24-26(3,18-29)14-8-15-27(22,24)4/h5-7,9-10,13,22-24,28-29H,2,8,11-12,14-18H2,1,3-4H3/b19-13+/t22-,23-,24+,26+,27-/m1/s1",C=C1C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@@H]1CC/C(C)=C/CO,C27H38O4,pos_1_minus1proton1iron,426.277009696,WGSYIFPPMZUQAN,Terpenoids,Diterpenoids,Labdane diterpenoids,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,0,6.0
8989,1544,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton1acetonitrile,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
8990,1544,-1,,,,0.0,MS1_match,GDKGOXUWEBGZBY-CEEFRGMYSA-N,"InChI=1S/C27H42O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,25,28-29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,25-,26-,27-/m0/s1",C[C@H](CO)CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C27H42O4,pos_1_1proton1acetonitrile,430.308309824,GDKGOXUWEBGZBY,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
8991,1542,-1,,,,0.0,MS1_match,LTOPGHFVVSBWKE-KTSXYBPLSA-N,"InChI=1S/C19H24O7/c1-8-5-6-12-9(2)19(23)26-17(12)15-13(7-24-10(3)20)18(25-11(4)21)16(22)14(8)15/h12-18,22H,1-2,5-7H2,3-4H3/t12-,13-,14-,15-,16+,17-,18+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,LTOPGHFVVSBWKE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
8992,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
8993,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Mantisalca salmantica,1086843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Mantisalca'],['Mantisalca salmantica'],7,0,7.0
8994,1542,-1,,,,0.0,MS1_match,FQHXNHVIGAESNB-PAXJRZKPSA-N,"InChI=1S/C19H24O7/c1-3-5-7-8-9-11-14(13(21)10-6-4-2)25-19-18(24)17(23)16(22)15(12-20)26-19/h3-6,10,13-24H,2,12H2,1H3/b5-3+,10-6-/t13-,14+,15+,16+,17-,18+,19+/m0/s1",C=C/C=C\[C@H](O)[C@@H](C#CC#C/C=C/C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,FQHXNHVIGAESNB,,,,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
8995,1542,-1,,,,0.0,MS1_match,VJOBNGRIBLNUKN-BMHXQBNDSA-N,"InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,VJOBNGRIBLNUKN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
8996,1542,-1,,,,0.0,MS1_match,VJOBNGRIBLNUKN-BMHXQBNDSA-N,"InChI=1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,VJOBNGRIBLNUKN,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
8997,1542,-1,,,,0.0,MS1_match,DGPKYTSMLWPRJT-URUZQALBSA-N,"InChI=1S/C19H24O7/c1-8-5-12(25-17(22)9(2)7-20)14-10(3)18(23)26-16(14)15-11(8)6-13(21)19(15,4)24/h11-16,20-21,24H,1-3,5-7H2,4H3/t11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,DGPKYTSMLWPRJT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
8998,1542,-1,,,,0.0,MS1_match,NPBDPFOGSVKPOK-UJAQHVGQSA-N,"InChI=1S/C19H24O7/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h11-16,20-21,24H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@@](C)(O)CO)[C@@H]12,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,NPBDPFOGSVKPOK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,0,7.0
8999,1542,-1,,,,0.0,MS1_match,NPBDPFOGSVKPOK-MKQGLTGQSA-N,"InChI=1S/C19H24O7/c1-8-5-13(25-18(23)19(4,24)7-20)15-10(3)17(22)26-16(15)14-9(2)12(21)6-11(8)14/h11-16,20-21,24H,1-3,5-7H2,4H3/t11-,12+,13-,14-,15+,16+,19?/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@H](O)C[C@H]3C(=C)C[C@H](OC(=O)C(C)(O)CO)[C@@H]12,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,NPBDPFOGSVKPOK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
9000,1542,-1,,,,0.0,MS1_match,NJTYUJFKRSBELS-URUZQALBSA-N,"InChI=1S/C19H24O7/c1-8(2)17(22)25-12-5-9(3)11-6-13(21)19(24,7-20)15(11)16-14(12)10(4)18(23)26-16/h11-16,20-21,24H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CO)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,NJTYUJFKRSBELS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
9001,1542,-1,,,,0.0,MS1_match,OHBYDHHDXCVQSF-ZOKMAAMZSA-N,"InChI=1S/C19H24O7/c1-11(8-20)18(23)25-15-6-13(9-21)4-3-5-14(10-22)7-16-17(15)12(2)19(24)26-16/h4,7,15-17,20-22H,1-3,5-6,8-10H2/b13-4-,14-7-/t15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1C/C(CO)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,OHBYDHHDXCVQSF,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea eriobasis,3894774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea eriobasis'],7,0,7.0
9002,1542,-1,,,,0.0,MS1_match,LTOPGHFVVSBWKE-KTSXYBPLSA-N,"InChI=1S/C19H24O7/c1-8-5-6-12-9(2)19(23)26-17(12)15-13(7-24-10(3)20)18(25-11(4)21)16(22)14(8)15/h12-18,22H,1-2,5-7H2,3-4H3/t12-,13-,14-,15-,16+,17-,18+/m0/s1",C=C1CC[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]12,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,LTOPGHFVVSBWKE,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
9003,1542,-1,,,,0.0,MS1_match,QDVDHKHXYCBGHJ-AYBFGTKDSA-N,"InChI=1S/C19H24O7/c1-8-12-6-16(25-11(4)21)14(7-24-10(3)20)17(12)18-13(5-15(8)22)9(2)19(23)26-18/h12-18,22H,1-2,5-7H2,3-4H3/t12-,13-,14+,15-,16-,17-,18-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@H](COC(C)=O)[C@@H](OC(C)=O)C[C@H]3C(=C)[C@@H](O)C[C@@H]12,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,QDVDHKHXYCBGHJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
9004,1542,-1,,,,0.0,MS1_match,QDVDHKHXYCBGHJ-BLAYQBSLSA-N,"InChI=1S/C19H24O7/c1-8-12-6-16(25-11(4)21)14(7-24-10(3)20)17(12)18-13(5-15(8)22)9(2)19(23)26-18/h12-18,22H,1-2,5-7H2,3-4H3/t12-,13-,14+,15-,16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](OC(C)=O)C[C@H]3C(=C)[C@@H](O)C[C@@H]12,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,QDVDHKHXYCBGHJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
9005,1542,-1,,,,0.0,MS1_match,PLPFMQGXHCYNFC-RGSCVMIKSA-N,"InChI=1S/C19H24O7/c1-9-12-4-5-19(8-24-19)14-6-15(25-11(3)21)13(7-23-10(2)20)16(14)17(12)26-18(9)22/h12-17H,1,4-8H2,2-3H3/t12-,13+,14+,15-,16-,17-,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](OC(C)=O)C[C@H]3[C@]3(CC[C@@H]12)CO3,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,PLPFMQGXHCYNFC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
9006,1542,-1,,,,0.0,MS1_match,PLPFMQGXHCYNFC-RGSCVMIKSA-N,"InChI=1S/C19H24O7/c1-9-12-4-5-19(8-24-19)14-6-15(25-11(3)21)13(7-23-10(2)20)16(14)17(12)26-18(9)22/h12-17H,1,4-8H2,2-3H3/t12-,13+,14+,15-,16-,17-,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](OC(C)=O)C[C@H]3[C@]3(CC[C@@H]12)CO3,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,PLPFMQGXHCYNFC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
9007,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
9008,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
9009,1542,-1,,,,0.0,MS1_match,DGPKYTSMLWPRJT-URUZQALBSA-N,"InChI=1S/C19H24O7/c1-8-5-12(25-17(22)9(2)7-20)14-10(3)18(23)26-16(14)15-11(8)6-13(21)19(15,4)24/h11-16,20-21,24H,1-3,5-7H2,4H3/t11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O7,pos_1_1proton1acetonitrile,364.152203108,DGPKYTSMLWPRJT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
9010,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
9011,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Mantisalca salmantica,1086843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Mantisalca'],['Mantisalca salmantica'],7,0,7.0
9012,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,0,7.0
9013,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
9014,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,0,7.0
9015,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
9016,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,0,7.0
9017,1542,-1,,,,0.0,MS1_match,YDYHLKYAFOTIKL-QEEYODRMSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(10-19(17)27-3)20(23)15-11-28-21(24)14(15)8-12-4-6-16(22)18(9-12)26-2/h4-7,9-10,14-15,20,22-23H,8,11H2,1-3H3/t14-,15+,20-/m1/s1",COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.152203108,YDYHLKYAFOTIKL,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Centaurea calcitrapa,489636.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea calcitrapa'],7,0,7.0
9018,1542,-1,,,,0.0,MS1_match,YFVZKLQNMNKWSB-BTYIYWSLSA-N,"InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1",COc1cc(C[C@@]2(O)C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,C21H24O7,pos_1_1proton1ammonium,388.1522031079999,YFVZKLQNMNKWSB,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
9019,1534,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1potassium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
9020,1534,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1potassium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
9021,1534,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1potassium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacanthus,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
9022,1534,-1,,,,0.0,MS1_match,JYFOSWJYZIVJPO-YGEZULPYSA-N,"InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)/t9-,10-,11+,12-,14-/m1/s1",COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H18O9,pos_1_1potassium,330.09508215599993,JYFOSWJYZIVJPO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Carthamus oxyacantha,139983.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus oxyacanthus'],7,0,7.0
9023,1533,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
9024,1533,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
9025,1533,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9026,1533,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9027,1533,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9028,1533,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9029,1533,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9030,1533,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9031,1533,-1,,,,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1proton1ethylamine,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9032,1533,-1,,,,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9033,1531,-1,,,,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_2_1magnesium,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,0,8.0
9034,1531,-1,,,,0.0,MS1_match,FNMHEHXNBNCPCI-UHFFFAOYSA-N,"InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3",CC1OC(OC2C(O)C(COC(=O)C=Cc3ccc(O)c(O)c3)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O,C29H36O15,pos_2_1magnesium,624.205420452,FNMHEHXNBNCPCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,0,8.0
9035,1531,-1,,,,0.0,MS1_match,DTOUWTJYUCZJQD-UJERWXFOSA-N,"InChI=1S/C29H36O15/c1-13-22(35)23(36)25(38)29(42-13)41-12-20-27(44-21(34)7-4-14-2-5-16(30)18(32)10-14)24(37)26(39)28(43-20)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_2_1magnesium,624.205420452,DTOUWTJYUCZJQD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica stricta,3883432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica stricta'],8,0,8.0
9036,1531,-1,,,,0.0,MS1_match,FBSKJMQYURKNSU-ZLSOWSIRSA-N,"InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C29H36O15,pos_2_1magnesium,624.205420452,FBSKJMQYURKNSU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
9037,1530,-1,,,,0.0,MS1_match,LYGRISUQIZNHGM-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.0853053199998,LYGRISUQIZNHGM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia jolkinii,252644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia jolkinii'],8,0,8.0
9038,1530,-1,,,,0.0,MS1_match,LYGRISUQIZNHGM-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.0853053199998,LYGRISUQIZNHGM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia jolkinii,252644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia jolkinii'],8,0,8.0
9039,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,8.0
9040,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,8.0
9041,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,0,8.0
9042,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia thymifolia,851843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia thymifolia'],8,0,8.0
9043,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,8.0
9044,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,8.0
9045,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,0,8.0
9046,1530,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia thymifolia,851843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia thymifolia'],8,0,8.0
9047,1527,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ammonium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
9048,1527,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ammonium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
9049,1524,871,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,CARKYHOUUWSDRA-XTITWOBISA-N,"InChI=1S/C27H40O11/c1-14(7-8-28)5-4-6-15(2)18(31)13-35-19-9-16(3)21-22(19)17(10-29)12-36-26(21)38-27-25(34)24(33)23(32)20(11-30)37-27/h6-7,10,12,16,19-28,30,32-34H,4-5,8-9,11,13H2,1-3H3/b14-7+,15-6+/t16-,19-,20-,21-,22+,23-,24+,25-,26+,27+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)CO[C@@H]1C[C@@H](C)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C=O)[C@H]21,C27H40O11,pos_1_1proton1ethylamine,540.2570621,CARKYHOUUWSDRA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,3,7.5
9050,1523,66,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,0.0,MS1_match,DKRYSHHGXFYAHR-QZTJIDSGSA-N,"InChI=1S/C19H17NO5/c21-18-11-1-2-14-19(25-9-22-14)13(11)7-20-4-3-10-5-15-16(24-8-23-15)6-12(10)17(18)20/h1-2,5-6,17-18,21H,3-4,7-9H2/t17-,18-/m1/s1",O[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C19H17NO5,pos_1_1proton1methanol,339.110672644,DKRYSHHGXFYAHR,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
9051,1523,66,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,0.0,MS1_match,DKRYSHHGXFYAHR-QZTJIDSGSA-N,"InChI=1S/C19H17NO5/c21-18-11-1-2-14-19(25-9-22-14)13(11)7-20-4-3-10-5-15-16(24-8-23-15)6-12(10)17(18)20/h1-2,5-6,17-18,21H,3-4,7-9H2/t17-,18-/m1/s1",O[C@@H]1c2ccc3c(c2CN2CCc4cc5c(cc4[C@H]12)OCO5)OCO3,C19H17NO5,pos_1_1proton1methanol,339.110672644,DKRYSHHGXFYAHR,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
9052,1518,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DFFOEEPIAZHYDY-UHFFFAOYSA-N,"InChI=1S/C16H14O2/c1-9-7-11-3-4-12-10(2)15(17)6-5-13(12)14(11)8-16(9)18/h3-8,17-18H,1-2H3",Cc1cc2ccc3c(C)c(O)ccc3c2cc1O,C16H14O2,pos_1_1proton1dmso,238.099379688,DFFOEEPIAZHYDY,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Micrandropsis scleroxylon,603561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Micrandropsis'],['Micrandropsis scleroxylon'],6,0,6.0
9053,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,8.5
9054,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9055,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9056,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,3,8.5
9057,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9058,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9059,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,8.5
9060,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,3,8.5
9061,1516,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9062,1515,-1,,,,0.0,MS1_match,SQUGWQLBJZPYLB-URUZQALBSA-N,"InChI=1S/C19H24O9/c1-8-4-12(27-17(22)9(2)6-20)14-10(3)18(23)28-16(14)15-11(8)5-13(21)19(15,24)7-26-25/h11-16,20-21,24-25H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COO)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O9,pos_1_1proton2acetonitrile,396.142032348,SQUGWQLBJZPYLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,0,7.0
9063,1514,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.0,MS1_match,NPFVOOAXDOBMCE-SNAWJCMRSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+",CC/C=C/CCOC(C)=O,C8H14O2,pos_2MHCH3CN,142.099379688,NPFVOOAXDOBMCE,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9064,1514,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.0,MS1_match,XCBBNTFYSLADTO-UHFFFAOYSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3",CCCCCC(=O)C(C)=O,C8H14O2,pos_2MHCH3CN,142.099379688,XCBBNTFYSLADTO,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9065,1514,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.0,MS1_match,HRHOWZHRCRZVCU-AATRIKPKSA-N,"InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+",CCC/C=C/COC(C)=O,C8H14O2,pos_2MHCH3CN,142.099379688,HRHOWZHRCRZVCU,Fatty acids,Fatty esters,Wax monoesters,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9066,1511,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,TUYMOSZNDXCMQM-GLPNJXFDSA-N,"InChI=1S/C31H38O7/c1-15(2)27(34)38-31-25(29(31,6)7)21-14-17(4)24(33)22-20(13-16(3)23(22)32)30(21,36)18(5)26(31)37-28(35)19-11-9-8-10-12-19/h8-15,18,20-22,24-26,33,36H,1-7H3/t18-,20-,21+,22-,24-,25-,26-,30+,31-/m1/s1",CC1=C[C@@H]2[C@H](C1=O)[C@H](O)C(C)=C[C@H]1[C@@H]3C(C)(C)[C@]3(OC(=O)C(C)C)[C@H](OC(=O)c3ccccc3)[C@@H](C)[C@]21O,C31H38O7,pos_1_1proton,522.2617535559999,TUYMOSZNDXCMQM,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia dendroides,825705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia dendroides'],8,2,9.0
9067,1511,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,2,9.0
9068,1511,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],8,2,9.0
9069,1511,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-VWSFRBHVSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.2617535559999,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,2,9.0
9070,1511,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,JPYYWXPAHJBKJX-UHFFFAOYSA-N,"InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3",C=C1CCC2C(C=C(C)C(=O)C3(OC(C)=O)CC(C)C(OC(=O)c4ccccc4)C3C1OC(C)=O)C2(C)C,C31H38O7,pos_1_1proton,522.261753556,JPYYWXPAHJBKJX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],8,2,9.0
9071,1510,374,,,,0.42248723,ISDB,,,,,,,KQKRRHTVZQEXBX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6899489164352417
9072,1508,-1,,,,0.0,MS1_match,LKDPBYZMSQGFBS-JUAIVUMSSA-N,"InChI=1S/C12H22O7/c1-2-3-4-5-8(14)19-11-9(15)7(6-13)18-12(17)10(11)16/h7,9-13,15-17H,2-6H2,1H3/t7-,9+,10-,11-,12+/m1/s1",CCCCCC(=O)O[C@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@@H]1O,C12H22O7,pos_2MHCH3CN,278.136553044,LKDPBYZMSQGFBS,,,,Datura wrightii,549356.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura wrightii'],6,0,6.0
9073,1506,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,INBHLTYBRKASIZ-JXMROGBWSA-N,"InChI=1S/C16H13NO4/c18-12-8-5-11(6-9-12)7-10-15(19)17-14-4-2-1-3-13(14)16(20)21/h1-10,18H,(H,17,19)(H,20,21)/b10-7+",O=C(/C=C/c1ccc(O)cc1)Nc1ccccc1C(=O)O,C16H13NO4,pos_1_1proton1isopropanol,283.084457896,INBHLTYBRKASIZ,Alkaloids,Anthranilic acid alkaloids,Anthranillic acid derivatives,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],7,0,7.0
9074,1504,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.74204844,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],0,3,4.468193769454956
9075,1504,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.74204844,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,3,4.468193769454956
9076,1504,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.74204844,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],0,3,4.468193769454956
9077,1504,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.74204844,ISDB,SPJFYYJXNPEZDW-FTJOPAKQSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1",CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Saccharomyces cerevisiae,356221.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Unknown'],['Saccharomycetales'],['Saccharomycetaceae'],['Unknown'],['Saccharomyces'],['Saccharomyces cerevisiae'],0,3,4.468193769454956
9078,1504,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.74204844,ISDB,SPJFYYJXNPEZDW-UHFFFAOYSA-N,"InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3",CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H50NO7P,,519.3324895699999,SPJFYYJXNPEZDW,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],0,3,4.468193769454956
9079,1503,-1,,,,0.0,MS1_match,DQMPCOCRFCCCNZ-UHFFFAOYSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24-25,27-28,36H,16-17H2,1-7H3",CC(=O)OC1CC(=O)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2C=C1C,C31H40O8,pos_1_1sodium,540.27231824,DQMPCOCRFCCCNZ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9080,1503,-1,,,,0.0,MS1_match,OQLAYVOSMBSWSF-FOFWAKMFSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24-25,27-28,34H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24+,25-,27+,28-,31-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C31H40O8,pos_1_1sodium,540.27231824,OQLAYVOSMBSWSF,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9081,1503,-1,,,,0.0,MS1_match,RHPFLGFCKKCWKG-UHFFFAOYSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,28(18)35)39-22(5)33/h8-15,18,20,24-25,27-28,35H,16-17H2,1-7H3",CC(=O)OC1CC(=O)C(C)(C)C=CC(C)C(O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C2C=C1C,C31H40O8,pos_1_1sodium,540.27231824,RHPFLGFCKKCWKG,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9082,1503,-1,,,,0.0,MS1_match,GITCJXFZRWGKLJ-GWXNUTEUSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(34)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24,26-28,36H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24-,26+,27-,28-,31+/m0/s1",CC(=O)O[C@@H]1CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C,C31H40O8,pos_1_1sodium,540.27231824,GITCJXFZRWGKLJ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9083,1503,-1,,,,0.0,MS1_match,YUDUPXHLRNLYOP-IVRZHYJISA-N,"InChI=1S/C31H40O8/c1-18-13-14-24(34)30(6,7)16-15-19(2)28(38-22(5)33)31(36)17-20(3)27(25(31)26(18)37-21(4)32)39-29(35)23-11-9-8-10-12-23/h8-12,15-16,19-20,25-28,36H,1,13-14,17H2,2-7H3/b16-15+/t19-,20+,25+,26+,27+,28-,31-/m1/s1",C=C1CCC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C31H40O8,pos_1_1sodium,540.27231824,YUDUPXHLRNLYOP,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],7,0,7.0
9084,1503,-1,,,,0.0,MS1_match,UAKCWZDVHJZVRU-DFICWMDASA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(39-29(35)23-11-9-8-10-12-23)19(2)15-24-27(38-22(5)33)20(3)17-31(24,36)28(18)34/h8-13,15,20,24-27,36H,14,16-17H2,1-7H3/b18-13+,19-15+/t20-,24-,25+,26+,27-,31+/m0/s1",CC(=O)O[C@H]1[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)C[C@@H](OC(=O)c3ccccc3)/C(C)=C/[C@@H]12,C31H40O8,pos_1_1sodium,540.27231824,UAKCWZDVHJZVRU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hirsuta,634791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirsuta'],7,0,7.0
9085,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9086,1501,-1,,,,0.0,MS1_match,PUGBZUWUTZUUCP-ZRKHGVCBSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.3705161559999,PUGBZUWUTZUUCP,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9087,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea iberica,726027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea iberica'],7,0,7.0
9088,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,0,7.0
9089,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,0,7.0
9090,1501,-1,,,,0.0,MS1_match,PUGBZUWUTZUUCP-ZRKHGVCBSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.3705161559999,PUGBZUWUTZUUCP,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9091,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
9092,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea nigra,717413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nigra'],7,0,7.0
9093,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
9094,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,0,7.0
9095,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea nigra,717413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nigra'],7,0,7.0
9096,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
9097,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,0,7.0
9098,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
9099,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9100,1501,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea iberica,726027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea iberica'],7,0,7.0
9101,1491,141,,,,0.65107566,ISDB,,,,,,,NABYCXSHQMCCEZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6043026447296143
9102,1490,-1,,,,0.0,MS1_match,DSSYKIVIOFKYAU-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3",CC12CCC(CC1=O)C2(C)C,C10H16O,pos_2MH,152.120115132,DSSYKIVIOFKYAU,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9103,1490,-1,,,,0.0,MS1_match,LHXDLQBQYFFVNW-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3",CC12CCC(C1)C(C)(C)C2=O,C10H16O,pos_2MH,152.120115132,LHXDLQBQYFFVNW,Terpenoids,Monoterpenoids,Fenchane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9104,1490,-1,,,,0.0,MS1_match,WTEVQBCEXWBHNA-UHFFFAOYSA-N,"InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3",CC(C)=CCCC(C)=CC=O,C10H16O,pos_2MH,152.120115132,WTEVQBCEXWBHNA,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9105,1490,-1,,,,0.0,MS1_match,NZGWDASTMWDZIW-MRVPVSSYSA-N,"InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1",CC(C)=C1CC[C@@H](C)CC1=O,C10H16O,pos_2MH,152.120115132,NZGWDASTMWDZIW,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9106,1490,-1,,,,0.0,MS1_match,CCEFMUBVSUDRLG-XNWIYYODSA-N,"InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m1/s1",C=C(C)[C@@H]1CCC2(C)OC2C1,C10H16O,pos_2MH,152.120115132,CCEFMUBVSUDRLG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9107,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",COc1ccc(C=CC(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Hypenia salzmannii,642520.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Ocimeae'],['Hypenia'],['Hypenia salzmannii'],5,0,7.950376987457275
9108,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",COc1ccc(C=CC(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],5,0,7.950376987457275
9109,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",COc1ccc(C=CC(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Buddleja asiatica,55258.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Buddlejeae'],['Buddleja'],['Buddleja asiatica'],5,0,7.950376987457275
9110,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-QPJJXVBHSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",COc1ccc(/C=C/C(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia spicata,6074602.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia spicata'],5,0,7.950376987457275
9111,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",COc1ccc(C=CC(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina arborea,736674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina arborea'],5,0,7.950376987457275
9112,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-QPJJXVBHSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+",COc1ccc(/C=C/C(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phlomis floccosa,145274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomis'],['Phlomis floccosa'],5,0,7.950376987457275
9113,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",COc1ccc(C=CC(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia ningpoensis,1066479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia ningpoensis'],5,0,7.950376987457275
9114,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",COc1ccc(C=CC(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Duranta erecta,689715.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Duranteae'],['Duranta'],['Duranta erecta'],5,0,7.950376987457275
9115,1487,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.73759425,ISDB,AFDXODALSZRGIH-UHFFFAOYSA-N,"InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)",COc1ccc(C=CC(=O)O)cc1,C10H10O3,,178.06299418,AFDXODALSZRGIH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Astianthus viminalis,6079972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Bignoniaceae'],['Unknown'],['Astianthus'],['Astianthus viminalis'],5,0,7.950376987457275
9116,1486,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,FIAAVMJLAGNUKW-VQVVXJKKSA-N,"InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2/t12-,13-,17-,18-,21+,22+,23-,24-,26+,27+/m1/s1",O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O15,pos_1_1proton1ethylamine,594.15847026,FIAAVMJLAGNUKW,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
9117,1486,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,USNPULRDBDVJAO-CJMRGEILSA-O,"InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19+,20+,21+,22-,23+,24+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O,C27H31O15+,pos_1_1proton1ethylamine,595.1657467120899,USNPULRDBDVJAO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
9118,1484,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBHGGYGWZIWCX-UHFFFAOYSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3",C=C1CCC2C(OC(=O)C2(O)CO)C2C1CC(O)C2C,C15H22O5,pos_1_1proton1ammonium,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara,991883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Unknown'],7,3,8.5
9119,1484,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBHGGYGWZIWCX-UOHBJPFUSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,pos_1_1proton1ammonium,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
9120,1484,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OHBHGGYGWZIWCX-DEJOPHEWSA-N,"InChI=1S/C15H22O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-13,16-17,19H,1,3-6H2,2H3/t8-,9+,10-,11+,12+,13-,15+/m1/s1",C=C1CC[C@@H]2[C@@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)[C@@H](O)C[C@@H]12,C15H22O5,pos_1_1proton1ammonium,282.146723804,OHBHGGYGWZIWCX,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
9121,1483,382,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.39357287,ISDB,GDVRUDXLQBVIKP-HQHREHCSSA-N,"InChI=1S/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2/t7-,9-,10+,11-,13+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C13H16O10,,332.074346712,GDVRUDXLQBVIKP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,12.074291467666626
9122,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
9123,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
9124,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
9125,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,0,8.0
9126,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
9127,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
9128,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
9129,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
9130,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
9131,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
9132,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
9133,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
9134,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
9135,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
9136,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
9137,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
9138,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
9139,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
9140,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
9141,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
9142,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
9143,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
9144,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
9145,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,0,8.0
9146,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
9147,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
9148,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
9149,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
9150,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
9151,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
9152,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
9153,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
9154,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
9155,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
9156,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-YWEKDMGLSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1",O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.13734089199977,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
9157,1482,-1,,,,0.0,MS1_match,DBUOUVZMYWYRRI-UHFFFAOYSA-N,"InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2",O=C(OC1C2C=COC(OC3OC(CO)C(O)C(O)C3O)C2C2(CO)OC12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,DBUOUVZMYWYRRI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
9158,1482,-1,,,,0.0,MS1_match,BVBJSLWZAPVJKX-RTFRMLQUSA-N,"InChI=1S/C22H26O13/c23-6-12-15(27)16(28)17(29)21(33-12)34-20-13-9(3-4-31-20)14(26)18-22(13,35-18)7-32-19(30)8-1-2-10(24)11(25)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14+,15-,16+,17-,18+,20+,21+,22-/m1/s1",O=C(OC[C@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,pos_1_1sodium,498.137340892,BVBJSLWZAPVJKX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
9159,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
9160,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,0,6.0
9161,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,0,6.0
9162,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,0,6.0
9163,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9164,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,0,6.0
9165,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dicentra canadensis,867182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicentra'],['Dicentra canadensis'],6,0,6.0
9166,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium pulchrum,6130748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium pulchrum'],6,0,6.0
9167,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,0,6.0
9168,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,0,6.0
9169,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium corniculatum,3944918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium corniculatum'],6,0,6.0
9170,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,0,6.0
9171,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,0,6.0
9172,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,0,6.0
9173,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Hypecoum imberbe,188913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum imberbe'],6,0,6.0
9174,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],6,0,6.0
9175,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis glaucescens,5727955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis glaucescens'],6,0,6.0
9176,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,0,6.0
9177,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9178,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,0,6.0
9179,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,0,6.0
9180,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,0,6.0
9181,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,0,6.0
9182,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,0,6.0
9183,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9184,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,0,6.0
9185,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Dicentra canadensis,867182.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicentra'],['Dicentra canadensis'],6,0,6.0
9186,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium pulchrum,6130748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium pulchrum'],6,0,6.0
9187,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,0,6.0
9188,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,0,6.0
9189,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,0,6.0
9190,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,0,6.0
9191,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9192,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,0,6.0
9193,1479,-1,,,,0.0,MS1_match,TZJNFQHUSMXCIT-GJZGRUSLSA-N,"InChI=1S/C19H19NO4/c1-20-14-4-11-6-18-19(24-9-23-18)8-13(11)15(20)3-10-5-17(22-2)16(21)7-12(10)14/h5-8,14-15,21H,3-4,9H2,1-2H3/t14-,15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C)OCO4,C19H19NO4,pos_1_1proton,325.131408088,TZJNFQHUSMXCIT,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
9194,1479,-1,,,,0.0,MS1_match,OGJUMNZGTZWIBO-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1c(O)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,OGJUMNZGTZWIBO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9195,1479,-1,,,,0.0,MS1_match,OGJUMNZGTZWIBO-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1c(O)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,OGJUMNZGTZWIBO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9196,1479,-1,,,,0.0,MS1_match,OGJUMNZGTZWIBO-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1c(O)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,OGJUMNZGTZWIBO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9197,1479,-1,,,,0.0,MS1_match,OGJUMNZGTZWIBO-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-14(21)19(22-2)18-12-8-16-15(23-9-24-16)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1c(O)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,OGJUMNZGTZWIBO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9198,1479,-1,,,,0.0,MS1_match,SFOMHAXOBRLRFH-CYBMUJFWSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-7-15-19(24-9-23-15)18-16(10)13(20)6-11-5-12(22-2)8-14(21)17(11)18/h5,7-8,13,21H,3-4,6,9H2,1-2H3/t13-/m1/s1",COc1cc(O)c2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C,C19H19NO4,pos_1_1proton,325.131408088,SFOMHAXOBRLRFH,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],6,0,6.0
9199,1479,-1,,,,0.0,MS1_match,TUTLRKKYUXPDGN-OAHLLOKOSA-N,"InChI=1S/C19H19NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m1/s1",COc1c(O)ccc2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,TUTLRKKYUXPDGN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],6,0,6.0
9200,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9201,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,0,6.0
9202,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,0,6.0
9203,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,0,6.0
9204,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9205,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9206,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-CYBMUJFWSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m1/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9207,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Glaucium corniculatum,3944918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium corniculatum'],6,0,6.0
9208,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9209,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,0,6.0
9210,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,0,6.0
9211,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9212,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9213,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-CYBMUJFWSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m1/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9214,1479,-1,,,,0.0,MS1_match,BXWVSGUITWLTOD-CABCVRRESA-N,"InChI=1S/C19H19NO4/c1-20-8-14-11-5-16(21)17(22-2)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15+/m1/s1",COc1cc2c(cc1O)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,BXWVSGUITWLTOD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,0,6.0
9215,1479,-1,,,,0.0,MS1_match,BXWVSGUITWLTOD-CABCVRRESA-N,"InChI=1S/C19H19NO4/c1-20-8-14-11-5-16(21)17(22-2)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15+/m1/s1",COc1cc2c(cc1O)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,BXWVSGUITWLTOD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,0,6.0
9216,1479,-1,,,,0.0,MS1_match,BXWVSGUITWLTOD-CABCVRRESA-N,"InChI=1S/C19H19NO4/c1-20-8-14-11-5-16(21)17(22-2)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15+/m1/s1",COc1cc2c(cc1O)[C@H]1CN(C)[C@@H](C2)c2cc3c(cc21)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,BXWVSGUITWLTOD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,0,6.0
9217,1479,-1,,,,0.0,MS1_match,PQECCKIOFCWGRJ-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,PQECCKIOFCWGRJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,0,6.0
9218,1479,-1,,,,0.0,MS1_match,PQECCKIOFCWGRJ-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,PQECCKIOFCWGRJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
9219,1479,-1,,,,0.0,MS1_match,PQECCKIOFCWGRJ-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1ccc2c(c1O)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,PQECCKIOFCWGRJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,0,6.0
9220,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Hypecoum imberbe,188913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum imberbe'],6,0,6.0
9221,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis taliensis,402711.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis taliensis'],6,0,6.0
9222,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3",COc1ccc2c(c1O)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.13140808799994,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis glaucescens,5727955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis glaucescens'],6,0,6.0
9223,1479,-1,,,,0.0,MS1_match,ZMNSHBTYBQNBPV-ZDUSSCGKSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-10-6-16(22-2)19(21)18-12-8-15-14(23-9-24-15)7-11(12)5-13(20)17(10)18/h6-8,13,21H,3-5,9H2,1-2H3/t13-/m0/s1",COc1cc2c3c(c1O)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,ZMNSHBTYBQNBPV,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,0,6.0
9224,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,0,6.0
9225,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,0,6.0
9226,1479,-1,,,,0.0,MS1_match,LODGIKWNLDQZBM-LBPRGKRZSA-N,"InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1",COc1ccc2c(c1O)-c1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3,C19H19NO4,pos_1_1proton,325.131408088,LODGIKWNLDQZBM,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,0,6.0
9227,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,0,6.0
9228,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,0,6.0
9229,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lamprocapnos spectabilis,928569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Lamprocapnos'],['Lamprocapnos spectabilis'],6,0,6.0
9230,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,0,6.0
9231,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lamprocapnos spectabilis,928569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Lamprocapnos'],['Lamprocapnos spectabilis'],6,0,6.0
9232,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,0,6.0
9233,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,0,6.0
9234,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,6.0
9235,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,6.0
9236,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver macrostomum,84036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver macrostomum'],6,0,6.0
9237,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,0,6.0
9238,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,0,6.0
9239,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],6,0,6.0
9240,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,0,6.0
9241,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,0,6.0
9242,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,0,6.0
9243,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,0,6.0
9244,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,0,6.0
9245,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,0,6.0
9246,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,0,6.0
9247,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,0,6.0
9248,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,0,6.0
9249,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gigantea,5727959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gigantea'],6,0,6.0
9250,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,0,6.0
9251,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,0,6.0
9252,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,0,6.0
9253,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,0,6.0
9254,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,0,6.0
9255,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,0,6.0
9256,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)CC21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria judaica,5503537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria judaica'],6,0,6.0
9257,1479,-1,,,,0.0,MS1_match,MKRKFSHHTKVRAR-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)CCN1Cc3c(ccc4c3OCO4)C[C@@H]21,C19H19NO4,pos_1_1proton,325.131408088,MKRKFSHHTKVRAR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver arenarium,5727880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver arenarium'],6,0,6.0
9258,1479,-1,,,,0.0,MS1_match,CNIIMKGHCAIORP-CABCVRRESA-N,"InChI=1S/C19H19NO4/c1-20-8-14-11-5-17(22-2)16(21)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15+/m1/s1",COc1cc2c(cc1O)C[C@H]1c3cc4c(cc3[C@@H]2CN1C)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,CNIIMKGHCAIORP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver alpinum,740031.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver alpinum'],6,0,6.0
9259,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,0,6.0
9260,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,0,6.0
9261,1479,-1,,,,0.0,MS1_match,GXFZPZAWQYQWSW-LSDHHAIUSA-N,"InChI=1S/C19H19NO4/c1-22-18-5-11-8-20-15-6-13-10(2-3-17-19(13)24-9-23-17)4-14(15)12(11)7-16(18)21/h2-3,5,7,14-15,20-21H,4,6,8-9H2,1H3/t14-,15+/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3C[C@H]1NC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,GXFZPZAWQYQWSW,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,0,6.0
9262,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-AUUYWEPGSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,0,6.0
9263,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-AUUYWEPGSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver triniifolium,8381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver triniifolium'],6,0,6.0
9264,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-AUUYWEPGSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pilosum,84032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pilosum'],6,0,6.0
9265,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-AUUYWEPGSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,0,6.0
9266,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-LIRRHRJNSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver croceum,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,0,6.0
9267,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-AUUYWEPGSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,0,6.0
9268,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-LIRRHRJNSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m0/s1",COC1=C[C@@]23CCN(C)[C@@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,0,6.0
9269,1479,-1,,,,0.0,MS1_match,HTAGIZQYGRLQQX-AUUYWEPGSA-N,"InChI=1S/C19H19NO4/c1-20-4-3-19-9-18(22-2)15(21)7-13(19)14(20)5-11-6-16-17(8-12(11)19)24-10-23-16/h6-9,14H,3-5,10H2,1-2H3/t14-,19-/m1/s1",COC1=C[C@]23CCN(C)[C@H](Cc4cc5c(cc42)OCO5)C3=CC1=O,C19H19NO4,pos_1_1proton,325.131408088,HTAGIZQYGRLQQX,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,0,6.0
9270,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria barnolae,5503556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria barnolae'],6,0,6.0
9271,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis calliantha,6130313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis calliantha'],6,0,6.0
9272,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver macrostomum,84036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver macrostomum'],6,0,6.0
9273,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sibirica,5727947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sibirica'],6,0,6.0
9274,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis scouleri,3944908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis scouleri'],6,0,6.0
9275,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,0,6.0
9276,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaveraceae,438092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Unknown'],['Unknown'],6,0,6.0
9277,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa var. japonica,5922953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],6,0,6.0
9278,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,0,6.0
9279,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa,5727953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],6,0,6.0
9280,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver fugax,6130809.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver fugax'],6,0,6.0
9281,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver armeniacum,605764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver armeniacum'],6,0,6.0
9282,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,0,6.0
9283,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-HNNXBMFYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3/t15-/m0/s1",COc1cc2c(cc1O)[C@@H]1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,0,6.0
9284,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis repens,5728014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis repens'],6,0,6.0
9285,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver arenarium,5727880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver arenarium'],6,0,6.0
9286,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,0,6.0
9287,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,0,6.0
9288,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,0,6.0
9289,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,0,6.0
9290,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,0,6.0
9291,1479,-1,,,,0.0,MS1_match,FVXCQULKSPVRPK-UHFFFAOYSA-N,"InChI=1S/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3",COc1cc2c(cc1O)C1Cc3ccc4c(c3CN1CC2)OCO4,C19H19NO4,pos_1_1proton,325.131408088,FVXCQULKSPVRPK,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,0,6.0
9292,1479,-1,,,,0.0,MS1_match,CNIIMKGHCAIORP-CABCVRRESA-N,"InChI=1S/C19H19NO4/c1-20-8-14-11-5-17(22-2)16(21)4-10(11)3-15(20)13-7-19-18(6-12(13)14)23-9-24-19/h4-7,14-15,21H,3,8-9H2,1-2H3/t14-,15+/m1/s1",COc1cc2c(cc1O)C[C@H]1c3cc4c(cc3[C@@H]2CN1C)OCO4,C19H19NO4,pos_1_1proton,325.13140808799994,CNIIMKGHCAIORP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pygmaeum,3944896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pygmaeum'],6,0,6.0
9293,1478,-1,,,,0.0,MS1_match,PXABCNYYUFHVMN-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-10-7-11(20)15-12(8-10)27-18(19(26-4)17(15)22)9-5-13(24-2)16(21)14(6-9)25-3/h5-8,20-21H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(O)c(OC)c3)oc2c1,C19H18O8,pos_1_1sodium1acetonitrile,374.1001675359999,PXABCNYYUFHVMN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum pubescens,47884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pubescens'],8,0,8.0
9294,1478,-1,,,,0.0,MS1_match,TUEHVMYACGCKDL-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-12-6-5-9(7-10(12)20)16-19(26-4)15(22)14-11(21)8-13(24-2)17(25-3)18(14)27-16/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1O,C19H18O8,pos_1_1sodium1acetonitrile,374.100167536,TUEHVMYACGCKDL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum paludosum,766363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paludosum'],8,0,8.0
9295,1478,-1,,,,0.0,MS1_match,DUISZFLWBAPRBR-UHFFFAOYSA-N,"InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)",CC(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,C15H22N5O7P,pos_1_1sodium,415.12568467399984,DUISZFLWBAPRBR,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9296,1478,-1,,,,0.0,MS1_match,DUISZFLWBAPRBR-UHFFFAOYSA-N,"InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)",CC(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,C15H22N5O7P,pos_1_1sodium,415.12568467399984,DUISZFLWBAPRBR,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9297,1476,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PWPSQCADOUKLOZ-VRJNFQLHSA-N,"InChI=1S/C19H30O6/c1-14(20)24-12-16-6-8-17(9-7-16)19(4,23)11-5-10-18(3,22)13-25-15(2)21/h5-6,10,17,22-23H,7-9,11-13H2,1-4H3/b10-5+/t17-,18+,19-/m0/s1",CC(=O)OCC1=CC[C@H]([C@@](C)(O)C/C=C/[C@@](C)(O)COC(C)=O)CC1,C19H30O6,pos_2MFe,354.20423868,PWPSQCADOUKLOZ,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Calea szyszylowiczii,7606977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea szyszylowiczii'],6,2,7.0
9298,1475,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,DGHGHNRVQFJSGO-XBEVWBRISA-N,"InChI=1S/C30H34O18/c1-10(32)43-9-19-23(37)25(39)27(41)29(47-19)48-28-26(40)22(36)18(8-31)46-30(28)45-17-7-16-20(24(38)21(17)35)13(34)6-15(44-16)11-3-4-14(42-2)12(33)5-11/h3-7,18-19,22-23,25-31,33,35-41H,8-9H2,1-2H3/t18-,19-,22-,23-,25-,26+,27-,28-,29+,30-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1O,C30H34O18,pos_1_1proton,682.174514248,DGHGHNRVQFJSGO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica orientalis,451460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica orientalis'],7,2,8.0
9299,1475,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SJFTVAAHLRFBST-DBFWEQBMSA-N,"InChI=1S/C27H26O17/c28-9-3-1-8(2-4-9)13-7-12(30)15-11(29)5-10(6-14(15)41-13)40-27-23(19(34)18(33)22(43-27)25(38)39)44-26-20(35)16(31)17(32)21(42-26)24(36)37/h1-7,16-23,26-29,31-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1",O=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C27H26O17,pos_1_1proton1isopropanol,622.116999372,SJFTVAAHLRFBST,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,2,8.0
9300,1473,558,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
9301,1472,-1,,,,0.0,MS1_match,MFWOJWBKCUMOEM-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](COC(=O)c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C23H28O12,pos_1_1sodium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,0,7.0
9302,1472,-1,,,,0.0,MS1_match,MFWOJWBKCUMOEM-UHFFFAOYSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)",CC1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)C21,C23H28O12,pos_1_1sodium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,0,7.0
9303,1472,-1,,,,0.0,MS1_match,MFWOJWBKCUMOEM-UHFFFAOYSA-N,"InChI=1S/C23H28O12/c1-9-14(25)6-12-13(20(29)30)7-33-22(16(9)12)35-23-19(28)18(27)17(26)15(34-23)8-32-21(31)10-2-4-11(24)5-3-10/h2-5,7,9,12,14-19,22-28H,6,8H2,1H3,(H,29,30)",CC1C(O)CC2C(C(=O)O)=COC(OC3OC(COC(=O)c4ccc(O)cc4)C(O)C(O)C3O)C21,C23H28O12,pos_1_1sodium,496.158076336,MFWOJWBKCUMOEM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,0,7.0
9304,1472,-1,,,,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1sodium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],7,0,7.0
9305,1472,-1,,,,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1sodium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],7,0,7.0
9306,1472,-1,,,,0.0,MS1_match,AMUCMTSSMZOQRF-NDDURLOJSA-N,"InChI=1S/C23H28O12/c1-9-14(33-21(31)10-2-4-11(25)5-3-10)6-12-13(20(29)30)8-32-22(16(9)12)35-23-19(28)18(27)17(26)15(7-24)34-23/h2-5,8-9,12,14-19,22-28H,6-7H2,1H3,(H,29,30)/t9-,12-,14+,15-,16-,17-,18+,19-,22+,23+/m1/s1",C[C@H]1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1OC(=O)c1ccc(O)cc1,C23H28O12,pos_1_1sodium,496.158076336,AMUCMTSSMZOQRF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],7,0,7.0
9307,1466,316,Amino acids and Peptides,Small peptides,Dipeptides,0.3170703,ISDB,BCXBIONYYJCSDF-CIUDSAMLSA-N,"InChI=1S/C11H22N2O3/c1-5-7(4)8(12)10(14)13-9(6(2)3)11(15)16/h6-9H,5,12H2,1-4H3,(H,13,14)(H,15,16)/t7-,8-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)C(C)C,C11H22N2O3,,230.163042564,BCXBIONYYJCSDF,Amino acids and Peptides,Small peptides,Dipeptides,Paraburkholderia,5902778.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Burkholderiaceae'],['Unknown'],['Burkholderia'],['Unknown'],0,3,2.7682812213897705
9308,1465,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7379834,ISDB,PWXZKALLXDXZPK-QHSBEEBCSA-N,"InChI=1S/C15H22O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14-16H,1,5-6H2,2-4H3/t11-,12-,14-,15-/m1/s1",C=C(C)C1=C[C@@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12,C15H22O,,218.167065324,PWXZKALLXDXZPK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Eupatorium adenophorum,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,3,10.45193362236023
9309,1465,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.7379834,ISDB,PWXZKALLXDXZPK-QHSBEEBCSA-N,"InChI=1S/C15H22O/c1-9(2)13-8-15(16)11(4)12-6-5-10(3)7-14(12)13/h7-8,11-12,14-16H,1,5-6H2,2-4H3/t11-,12-,14-,15-/m1/s1",C=C(C)C1=C[C@@H](O)[C@H](C)[C@H]2CCC(C)=C[C@@H]12,C15H22O,,218.167065324,PWXZKALLXDXZPK,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Ageratina adenophora,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,3,10.45193362236023
9310,1464,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,YHNVNIVDFFAESM-UHFFFAOYSA-N,"InChI=1S/C21H28O9/c1-4-26-15-9-12-16(20(28-15)27-5-2)21(10-22)18(30-21)17(12)29-19(24)11-6-7-13(23)14(8-11)25-3/h6-8,12,15-18,20,22-23H,4-5,9-10H2,1-3H3",CCOC1CC2C(OC(=O)c3ccc(O)c(OC)c3)C3OC3(CO)C2C(OCC)O1,C21H28O9,pos_1_1proton1methanol,424.173332476,YHNVNIVDFFAESM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,1,7.5
9311,1464,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,YHNVNIVDFFAESM-LYJJHTRHSA-N,"InChI=1S/C21H28O9/c1-4-26-15-9-12-16(20(28-15)27-5-2)21(10-22)18(30-21)17(12)29-19(24)11-6-7-13(23)14(8-11)25-3/h6-8,12,15-18,20,22-23H,4-5,9-10H2,1-3H3/t12-,15+,16-,17+,18+,20+,21-/m1/s1",CCO[C@@H]1C[C@H]2[C@H](OC(=O)c3ccc(O)c(OC)c3)[C@@H]3O[C@]3(CO)[C@H]2[C@@H](OCC)O1,C21H28O9,pos_1_1proton1methanol,424.173332476,YHNVNIVDFFAESM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,1,7.5
9312,1463,-1,,,,0.35684398,ISDB,OMHJQGZJZUFMMT-AJHRVBBASA-N,"InChI=1S/C27H34O3/c28-19-11-8-17(9-12-19)6-4-2-1-3-5-7-20-21-14-15-22-23(27(29)30)13-10-18-16-24(20)26(21)25(18)22/h8-15,18,20-26,28H,1-7,16H2,(H,29,30)/t18-,20-,21-,22+,23-,24+,25-,26-/m1/s1",O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@H]43,C27H34O3,,406.250794948,OMHJQGZJZUFMMT,,,,Beilschmiedia ferruginea,6025446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia ferruginea'],4,0,5.427375912666321
9313,1458,390,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,PMMYEEVYMWASQN-IUYQGCFVSA-N,"InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m0/s1",O=C(O)[C@H]1C[C@H](O)CN1,C5H9NO3,pos_2MCa,131.058243148,PMMYEEVYMWASQN,Amino acids and Peptides,Small peptides,Aminoacids,Antirrhinum majus,596457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Antirrhinum'],['Antirrhinum majus'],6,3,7.5
9314,1456,-1,,,,0.0,MS1_match,UKDTULYYEZMCBZ-MRXNPFEDSA-N,"InChI=1S/C23H19NO6/c1-24-16(9-20(25)26-2)21-13(5-6-17-23(21)30-11-27-17)14-4-3-12-7-18-19(29-10-28-18)8-15(12)22(14)24/h3-8,16H,9-11H2,1-2H3/t16-/m1/s1",COC(=O)C[C@@H]1c2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c2N1C)OCO4,C23H19NO6,pos_1_1proton1dmso,405.121237328,UKDTULYYEZMCBZ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,0,6.0
9315,1455,903,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Simple indole alkaloids,0.79513055,ISDB,NPTAQBFHUNRJAR-UHFFFAOYSA-N,"InChI=1S/C10H10N2OS/c13-12-10(14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11,13H,5H2,(H,12,14)",ON=C(S)Cc1c[nH]c2ccccc12,C10H10N2OS,,206.05138394,NPTAQBFHUNRJAR,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,11.680522203445435
9316,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ethylamine,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,1,6.5
9317,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ethylamine,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,1,6.5
9318,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ethylamine,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon albidus,34986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albidus'],6,1,6.5
9319,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ethylamine,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,1,6.5
9320,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ethylamine,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,1,6.5
9321,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,VELYAQRXBJLJAK-XKKWFBPMSA-N,"InChI=1S/C15H24O9/c1-15(21)4-7(17)6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)8(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8+,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@]1(O)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O9,pos_1_1proton1ethylamine,348.142032348,VELYAQRXBJLJAK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon albidus,34986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albidus'],6,1,6.5
9322,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,OOJZWXCTDBXCJY-DAFIZWGFSA-N,"InChI=1S/C15H24O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h3,7-21H,1-2,4-5H2/t7-,8-,9+,10+,11-,12-,13+,14-,15+/m0/s1",OCC1=C[C@H](O)[C@@H]2CCO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O9,pos_1_1proton1ethylamine,348.142032348,OOJZWXCTDBXCJY,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago subulata,185894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago subulata'],6,1,6.5
9323,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,PVNCIZYCWIYOJP-DOPINODRSA-N,"InChI=1S/C15H24O9/c1-5-8-6(10(18)9(5)17)2-3-22-14(8)24-15-13(21)12(20)11(19)7(4-16)23-15/h2-3,5-21H,4H2,1H3/t5-,6+,7+,8+,9+,10-,11+,12-,13+,14-,15-/m0/s1",C[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O9,pos_1_1proton1ethylamine,348.142032348,PVNCIZYCWIYOJP,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,1,6.5
9324,1454,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,SVKAKAGCTFQHGA-HXHBHVAVSA-N,"InChI=1S/C15H24O9/c1-15(21)8(17)4-6-2-3-22-13(9(6)15)24-14-12(20)11(19)10(18)7(5-16)23-14/h2-3,6-14,16-21H,4-5H2,1H3/t6-,7+,8-,9+,10+,11-,12+,13-,14-,15-/m0/s1",C[C@@]1(O)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@H]2C[C@@H]1O,C15H24O9,pos_1_1proton1ethylamine,348.142032348,SVKAKAGCTFQHGA,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,1,6.5
9325,1448,-1,,,,0.0,MS1_match,ASBKJEWHZATFLZ-FZWCCAJFSA-N,"InChI=1S/C26H42O5/c1-16(2)15-30-24-23(31-20(6)27)19(5)25(7,13-12-17(3)14-22(28)29)21-11-9-10-18(4)26(21,24)8/h10,14,16,19,21,23-24H,9,11-13,15H2,1-8H3,(H,28,29)/b17-14-/t19-,21-,23-,24+,25+,26+/m1/s1",CC(=O)O[C@@H]1[C@@H](C)[C@](C)(CC/C(C)=C\C(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@H]1OCC(C)C,C26H42O5,pos_1_1proton1ethylamine,434.303224444,ASBKJEWHZATFLZ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],6,0,6.0
9326,1448,-1,,,,0.0,MS1_match,RYMPXBKWHVBKRA-KLSDWBHSSA-N,"InChI=1S/C26H42O5/c1-18(2)15-21(27)30-17-23(4)11-8-12-25(6)20(23)10-9-19(3)26(25)14-13-24(5,31-26)16-22(28)29-7/h9,18,20H,8,10-17H2,1-7H3/t20-,23-,24-,25-,26+/m0/s1",COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1[C@](C)(COC(=O)CC(C)C)CCC[C@@]12C,C26H42O5,pos_1_1proton1ethylamine,434.303224444,RYMPXBKWHVBKRA,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],6,0,6.0
9327,1448,-1,,,,0.0,MS1_match,RYMPXBKWHVBKRA-KLSDWBHSSA-N,"InChI=1S/C26H42O5/c1-18(2)15-21(27)30-17-23(4)11-8-12-25(6)20(23)10-9-19(3)26(25)14-13-24(5,31-26)16-22(28)29-7/h9,18,20H,8,10-17H2,1-7H3/t20-,23-,24-,25-,26+/m0/s1",COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1[C@](C)(COC(=O)CC(C)C)CCC[C@@]12C,C26H42O5,pos_1_1proton1ethylamine,434.303224444,RYMPXBKWHVBKRA,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia stricta,981039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia stricta'],6,0,6.0
9328,1448,-1,,,,0.0,MS1_match,GAKCSGGPIOQRCL-FHUGLKHTSA-N,"InChI=1S/C26H42O5/c1-8-18(2)22(28)30-17-19-10-11-20-23(3,4)12-9-13-25(20,6)26(19)15-14-24(5,31-26)16-21(27)29-7/h10,18,20H,8-9,11-17H2,1-7H3/t18-,20+,24-,25+,26-/m1/s1",CC[C@@H](C)C(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2,C26H42O5,pos_1_1proton1ethylamine,434.303224444,GAKCSGGPIOQRCL,Terpenoids,Diterpenoids,,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],6,0,6.0
9329,1448,-1,,,,0.0,MS1_match,GAKCSGGPIOQRCL-FHUGLKHTSA-N,"InChI=1S/C26H42O5/c1-8-18(2)22(28)30-17-19-10-11-20-23(3,4)12-9-13-25(20,6)26(19)15-14-24(5,31-26)16-21(27)29-7/h10,18,20H,8-9,11-17H2,1-7H3/t18-,20+,24-,25+,26-/m1/s1",CC[C@@H](C)C(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)OC)O2,C26H42O5,pos_1_1proton1ethylamine,434.303224444,GAKCSGGPIOQRCL,Terpenoids,Diterpenoids,,Grindelia stricta,981039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia stricta'],6,0,6.0
9330,1448,-1,,,,0.0,MS1_match,PFTGKKLIOQUGKM-FOIBMAJFSA-N,"InChI=1S/C26H42O5/c1-8-18(2)22(28)30-17-23(4)12-9-13-25(6)20(23)11-10-19(3)26(25)15-14-24(5,31-26)16-21(27)29-7/h10,18,20H,8-9,11-17H2,1-7H3/t18-,20+,23+,24-,25+,26-/m1/s1",CC[C@@H](C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@]21CC[C@](C)(CC(=O)OC)O1,C26H42O5,pos_1_1proton1ethylamine,434.303224444,PFTGKKLIOQUGKM,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],6,0,6.0
9331,1448,-1,,,,0.0,MS1_match,PFTGKKLIOQUGKM-FOIBMAJFSA-N,"InChI=1S/C26H42O5/c1-8-18(2)22(28)30-17-23(4)12-9-13-25(6)20(23)11-10-19(3)26(25)15-14-24(5,31-26)16-21(27)29-7/h10,18,20H,8-9,11-17H2,1-7H3/t18-,20+,23+,24-,25+,26-/m1/s1",CC[C@@H](C)C(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@]21CC[C@](C)(CC(=O)OC)O1,C26H42O5,pos_1_1proton1ethylamine,434.303224444,PFTGKKLIOQUGKM,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia stricta,981039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia stricta'],6,0,6.0
9332,1448,-1,,,,0.0,MS1_match,ALMXGEAICAOSNG-PCWWUVHHSA-N,"InChI=1S/C26H42O5/c1-18(2)15-21(27)30-17-19-9-10-20-23(3,4)11-8-12-25(20,6)26(19)14-13-24(5,31-26)16-22(28)29-7/h9,18,20H,8,10-17H2,1-7H3/t20-,24-,25-,26+/m0/s1",COC(=O)C[C@]1(C)CC[C@@]2(O1)C(COC(=O)CC(C)C)=CC[C@H]1C(C)(C)CCC[C@@]12C,C26H42O5,pos_1_1proton1ethylamine,434.303224444,ALMXGEAICAOSNG,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia hirsutula,278958.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia hirsutula'],6,0,6.0
9333,1448,-1,,,,0.0,MS1_match,ALMXGEAICAOSNG-PCWWUVHHSA-N,"InChI=1S/C26H42O5/c1-18(2)15-21(27)30-17-19-9-10-20-23(3,4)11-8-12-25(20,6)26(19)14-13-24(5,31-26)16-22(28)29-7/h9,18,20H,8,10-17H2,1-7H3/t20-,24-,25-,26+/m0/s1",COC(=O)C[C@]1(C)CC[C@@]2(O1)C(COC(=O)CC(C)C)=CC[C@H]1C(C)(C)CCC[C@@]12C,C26H42O5,pos_1_1proton1ethylamine,434.303224444,ALMXGEAICAOSNG,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia stricta,981039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia stricta'],6,0,6.0
9334,1448,-1,,,,0.0,MS1_match,ALMXGEAICAOSNG-KBCQWCIPSA-N,"InChI=1S/C26H42O5/c1-18(2)15-21(27)30-17-19-9-10-20-23(3,4)11-8-12-25(20,6)26(19)14-13-24(5,31-26)16-22(28)29-7/h9,18,20H,8,10-17H2,1-7H3/t20-,24+,25-,26+/m0/s1",COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(COC(=O)CC(C)C)=CC[C@H]1C(C)(C)CCC[C@@]12C,C26H42O5,pos_1_1proton1ethylamine,434.303224444,ALMXGEAICAOSNG,Terpenoids,Diterpenoids,Labdane diterpenoids,Grindelia squarrosa,912596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grindelia'],['Grindelia squarrosa'],6,0,6.0
9335,1441,-1,,,,0.0,MS1_match,BFKWILVOTONIQI-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,BFKWILVOTONIQI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9336,1441,-1,,,,0.0,MS1_match,QWCWFWSASCMKEX-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,QWCWFWSASCMKEX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9337,1441,-1,,,,0.0,MS1_match,ZBELSIALTHIOTO-HUFSBHEJSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)25(31)24(29)26(17)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24+,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,ZBELSIALTHIOTO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9338,1441,-1,,,,0.0,MS1_match,SXGKGXOUXRBQMQ-KIBXAYQRSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,SXGKGXOUXRBQMQ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9339,1441,-1,,,,0.0,MS1_match,OMBNGHNNZSKBRK-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9340,1441,-1,,,,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,0,7.0
9341,1441,-1,,,,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia wallichii,3912272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia wallichii'],7,0,7.0
9342,1441,-1,,,,0.0,MS1_match,HKPWYRCJCZALNK-RWZDKYSZSA-N,"InChI=1S/C29H36O5/c1-16-15-18-21(23(16)31)25(33)28(4)14-13-19-22(27(19,2)3)26(29(28,5)24(18)32)34-20(30)12-11-17-9-7-6-8-10-17/h6-12,16,19,22-23,25-26,31,33H,13-15H2,1-5H3/b12-11+/t16-,19-,22-,23-,25+,26+,28-,29-/m0/s1",C[C@H]1CC2=C([C@H]1O)[C@@H](O)[C@]1(C)CC[C@H]3[C@@H]([C@@H](OC(=O)/C=C/c4ccccc4)[C@]1(C)C2=O)C3(C)C,C29H36O5,pos_1_1proton,464.256274252,HKPWYRCJCZALNK,Terpenoids,Sesquiterpenoids,,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9343,1441,-1,,,,0.0,MS1_match,LZNNPFFCMZVLLZ-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31-32H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,LZNNPFFCMZVLLZ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia kansuensis,3912731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansuensis'],7,0,7.0
9344,1440,-1,,,,0.0,MS1_match,VKGZCEJTCKHMRL-VWJPMABRSA-N,"InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13+/m0/s1",O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)O,C14H17N5O8,pos_1_1proton1acetonitrile,383.1077125039999,VKGZCEJTCKHMRL,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
9345,1439,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-BWYUNELBSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
9346,1439,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-BWYUNELBSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
9347,1439,-1,,,,0.0,MS1_match,PZZRDJXEMZMZFD-BWYUNELBSA-N,"InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15+,17-,20+/m1/s1",O=c1c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,PZZRDJXEMZMZFD,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
9348,1439,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,8.0
9349,1439,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia supina,253556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia supina'],8,0,8.0
9350,1439,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-BQCJVYABSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
9351,1439,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,8.0
9352,1439,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-UXYNSRGZSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia supina,253556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia supina'],8,0,8.0
9353,1439,-1,,,,0.0,MS1_match,BDCDNTVZSILEOY-BQCJVYABSA-N,"InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C20H18O11,pos_1_1proton,434.0849113959998,BDCDNTVZSILEOY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,8.0
9354,1437,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.43998855,ISDB,HQPQTQQUHPFUOA-ZCPYHVQDSA-N,"InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-18,25,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-/m1/s1",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=O)C(C)(C)C[C@H](O)C1,C27H36O2,,392.271530392,HQPQTQQUHPFUOA,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,1,8.25995421409607
9355,1436,-1,,,,0.0,MS1_match,FDSDTBUPSURDBL-DKLMTRRASA-N,"InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+",CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)C(C)(C)CCC1=O,C40H52O2,pos_1_1proton,564.396730904,FDSDTBUPSURDBL,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-β)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
9356,1431,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.42249417,ISDB,LNIQZRIHAMVRJA-UHFFFAOYSA-N,"InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3",COc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1,C16H12O4,,268.073558864,LNIQZRIHAMVRJA,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,Cunila,1097484.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cunila'],['Unknown'],5,1,7.189976692199707
9357,1428,-1,,,,0.0,MS1_match,AZXZUBZBLNFUPF-CLGLNXEMSA-N,"InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O3,pos_1_1proton,412.29774514,AZXZUBZBLNFUPF,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
9358,1428,-1,,,,0.0,MS1_match,AZXZUBZBLNFUPF-CLGLNXEMSA-N,"InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O3,pos_1_1proton,412.29774514,AZXZUBZBLNFUPF,Terpenoids,Steroids,Spirostane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,8.0
9359,1428,-1,,,,0.0,MS1_match,FTNZYJHYERPLRL-UHFFFAOYSA-N,"InChI=1S/C27H40O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-9,11-14,16-17,24,28-29H,10,15,18-20H2,1-6H3",CC(C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C)=CC=CC=C(C)CCCO,C27H40O3,pos_1_1proton,412.29774514,FTNZYJHYERPLRL,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9360,1424,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.7984836,ISDB,IKMDFBPHZNJCSN-UHFFFAOYSA-N,"InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O8,,318.03756728,IKMDFBPHZNJCSN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.693934440612793
9361,1423,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_2MCa,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,0,8.0
9362,1423,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_2MCa,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,0,8.0
9363,1423,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-ASBKZRTJSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_2MCa,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
9364,1421,-1,,,,0.0,MS1_match,RSDDHGSKLOSQFK-RVDMUPIBSA-N,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+",CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1,C19H22O3,pos_1_minus1proton2sodium,298.156894564,RSDDHGSKLOSQFK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baccharis eggersii,7599923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis eggersii'],6,0,6.0
9365,1421,-1,,,,0.0,MS1_match,JUHFNIHWCGKLPH-CYBMUJFWSA-N,"InChI=1S/C14H12O5/c1-8(6-15)13-7-17-11-5-10-9(4-12(11)18-13)2-3-14(16)19-10/h2-5,13,15H,1,6-7H2/t13-/m1/s1",C=C(CO)[C@H]1COc2cc3oc(=O)ccc3cc2O1,C14H12O5,pos_1_1proton2acetonitrile,260.068473484,JUHFNIHWCGKLPH,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Ozothamnus stirlingii,526909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Ozothamnus'],['Ozothamnus stirlingii'],6,0,6.0
9366,1421,-1,,,,0.0,MS1_match,AVCYTMYLWMIAER-LLVKDONJSA-N,"InChI=1S/C14H12O5/c1-7(2)11-6-17-10-5-9-8(3-4-12(15)18-9)13(16)14(10)19-11/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1",C=C(C)[C@H]1COc2cc3oc(=O)ccc3c(O)c2O1,C14H12O5,pos_1_1proton2acetonitrile,260.06847348400004,AVCYTMYLWMIAER,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Podolepis rugata,24091.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Podolepis'],['Podolepis rugata'],6,0,6.0
9367,1421,-1,,,,0.0,MS1_match,AVCYTMYLWMIAER-LLVKDONJSA-N,"InChI=1S/C14H12O5/c1-7(2)11-6-17-10-5-9-8(3-4-12(15)18-9)13(16)14(10)19-11/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1",C=C(C)[C@H]1COc2cc3oc(=O)ccc3c(O)c2O1,C14H12O5,pos_1_1proton2acetonitrile,260.06847348400004,AVCYTMYLWMIAER,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Gamochaeta serpyllifolia,5784703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Gamochaeta'],['Gamochaeta serpyllifolia'],6,0,6.0
9368,1421,-1,,,,0.0,MS1_match,AVCYTMYLWMIAER-LLVKDONJSA-N,"InChI=1S/C14H12O5/c1-7(2)11-6-17-10-5-9-8(3-4-12(15)18-9)13(16)14(10)19-11/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1",C=C(C)[C@H]1COc2cc3oc(=O)ccc3c(O)c2O1,C14H12O5,pos_1_1proton2acetonitrile,260.06847348400004,AVCYTMYLWMIAER,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Plecostachys serpyllifolia,955597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Plecostachys'],['Plecostachys serpyllifolia'],6,0,6.0
9369,1421,-1,,,,0.0,MS1_match,AVCYTMYLWMIAER-LLVKDONJSA-N,"InChI=1S/C14H12O5/c1-7(2)11-6-17-10-5-9-8(3-4-12(15)18-9)13(16)14(10)19-11/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1",C=C(C)[C@H]1COc2cc3oc(=O)ccc3c(O)c2O1,C14H12O5,pos_1_1proton2acetonitrile,260.06847348400004,AVCYTMYLWMIAER,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Syncarpha canescens,303228.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Syncarpha'],['Syncarpha canescens'],6,0,6.0
9370,1421,-1,,,,0.0,MS1_match,AVCYTMYLWMIAER-LLVKDONJSA-N,"InChI=1S/C14H12O5/c1-7(2)11-6-17-10-5-9-8(3-4-12(15)18-9)13(16)14(10)19-11/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1",C=C(C)[C@H]1COc2cc3oc(=O)ccc3c(O)c2O1,C14H12O5,pos_1_1proton2acetonitrile,260.06847348400004,AVCYTMYLWMIAER,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Cassinia uncata,750186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Cassinia'],['Cassinia uncata'],6,0,6.0
9371,1421,-1,,,,0.0,MS1_match,AVCYTMYLWMIAER-LLVKDONJSA-N,"InChI=1S/C14H12O5/c1-7(2)11-6-17-10-5-9-8(3-4-12(15)18-9)13(16)14(10)19-11/h3-5,11,16H,1,6H2,2H3/t11-/m1/s1",C=C(C)[C@H]1COc2cc3oc(=O)ccc3c(O)c2O1,C14H12O5,pos_1_1proton2acetonitrile,260.06847348400004,AVCYTMYLWMIAER,Shikimates and Phenylpropanoids,Coumarins,Furocoumarins,Ozothamnus diosmifolius,500378.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Ozothamnus'],['Ozothamnus diosmifolius'],6,0,6.0
9372,1421,-1,,,,0.0,MS1_match,CFSZOYZFLPKSRQ-UHFFFAOYSA-N,"InChI=1S/C19H22O3/c1-13(2)16-12-17(20)14(3)11-18(16)22-19(21)10-9-15-7-5-4-6-8-15/h4-8,11-13,20H,9-10H2,1-3H3",Cc1cc(OC(=O)CCc2ccccc2)c(C(C)C)cc1O,C19H22O3,pos_1_minus1proton2sodium,298.156894564,CFSZOYZFLPKSRQ,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Antiphiona fragrans,806728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Antiphiona'],['Antiphiona fragrans'],6,0,6.0
9373,1421,-1,,,,0.0,MS1_match,WMXIJAYFGVPAFS-ZHACJKMWSA-N,"InChI=1S/C19H22O3/c1-4-5-6-7-8-9-10-11-12-13-18(20)14-15-22-19(21)16-17(2)3/h10-11,17H,12-16H2,1-3H3/b11-10+",CC#CC#CC#C/C=C/CCC(=O)CCOC(=O)CC(C)C,C19H22O3,pos_1_minus1proton2sodium,298.156894564,WMXIJAYFGVPAFS,Fatty acids,Fatty esters,Wax monoesters,Artemisia vulgaris,1092844.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia vulgaris'],6,0,6.0
9374,1421,-1,,,,0.0,MS1_match,GMQISLUQWTWFEE-IBGZPJMESA-N,"InChI=1S/C19H22O3/c1-15-8-11-17(12-9-15)19(2,21)14-22-18(20)13-10-16-6-4-3-5-7-16/h3-9,11-12,21H,10,13-14H2,1-2H3/t19-/m0/s1",Cc1ccc([C@@](C)(O)COC(=O)CCc2ccccc2)cc1,C19H22O3,pos_1_minus1proton2sodium,298.156894564,GMQISLUQWTWFEE,Terpenoids,,,Haplopappus remyanus,7599243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus remyanus'],6,0,6.0
9375,1421,-1,,,,0.0,MS1_match,YDXYKLYFIJQODC-KDKDYCJVSA-N,"InChI=1S/C19H22O3/c1-4-15(2)6-5-7-16(3)14-22-19(21)13-10-17-8-11-18(20)12-9-17/h4,7-13,20H,1-2,5-6,14H2,3H3/b13-10+,16-7-",C=CC(=C)CC/C=C(/C)COC(=O)/C=C/c1ccc(O)cc1,C19H22O3,pos_1_minus1proton2sodium,298.156894564,YDXYKLYFIJQODC,Terpenoids,,,Haplopappus remyanus,7599243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Haplopappus'],['Haplopappus remyanus'],6,0,6.0
9376,1421,-1,,,,0.0,MS1_match,OPNUFVCHEBRKQW-HVEPWOEZSA-N,"InChI=1S/C19H22O3/c1-4-6-7-8-9-10-11-15-19(22-17(3)20)16-13-12-14-18(21)5-2/h4-5,11,15,19H,1-2,6-10H2,3H3/b15-11-/t19-/m0/s1",C=CCCCCC/C=C\[C@@H](C#CC#CC(=O)C=C)OC(C)=O,C19H22O3,pos_1_minus1proton2sodium,298.156894564,OPNUFVCHEBRKQW,,,,Nidorella agria,7598363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella agria'],6,0,6.0
9377,1421,-1,,,,0.0,MS1_match,RSDDHGSKLOSQFK-UHFFFAOYSA-N,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3",CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1,C19H22O3,pos_1_minus1proton2sodium,298.156894564,RSDDHGSKLOSQFK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Sinacalia tangutica,1010095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Sinacalia'],['Sinacalia tangutica'],6,0,6.0
9378,1421,-1,,,,0.0,MS1_match,RSDDHGSKLOSQFK-RVDMUPIBSA-N,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+",CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1,C19H22O3,pos_1_minus1proton2sodium,298.156894564,RSDDHGSKLOSQFK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Baccharis darwinii,7599908.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis darwinii'],6,0,6.0
9379,1421,-1,,,,0.0,MS1_match,RSDDHGSKLOSQFK-PTNGSMBKSA-N,"InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11-",CC(C)=CCC/C(C)=C\COc1ccc2ccc(=O)oc2c1,C19H22O3,pos_1_minus1proton2sodium,298.156894564,RSDDHGSKLOSQFK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solidago drummondii,7599438.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago drummondii'],6,0,6.0
9380,1421,-1,,,,0.0,MS1_match,BOKWTIBYYIPGGY-JLHYYAGUSA-N,"InChI=1S/C18H15NO5/c1-23-10-13-12-5-3-4-6-14(12)19(17(13)21)15-9-11(18(22)24-2)7-8-16(15)20/h3-10,20H,1-2H3/b13-10+",CO/C=C1/C(=O)N(c2cc(C(=O)OC)ccc2O)c2ccccc21,C18H15NO5,pos_1_1proton1ammonium,325.09502258,BOKWTIBYYIPGGY,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Isatis costata,3932101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis costata'],6,0,6.0
9381,1421,-1,,,,0.0,MS1_match,WIWGMWMZHXXIAH-SICIGRSVSA-N,"InChI=1S/C31H50O13/c1-28-7-3-8-29(2,18(28)6-9-30-10-15(4-5-19(28)30)31(40,13-30)14-33)27(39)44-26-24(22(37)21(36)17(11-32)42-26)43-25-23(38)20(35)16(34)12-41-25/h15-26,32-38,40H,3-14H2,1-2H3/t15-,16+,17-,18+,19+,20+,21-,22+,23-,24-,25+,26+,28-,29-,30+,31+/m1/s1",C[C@@]12CCC[C@@](C)(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3,C31H50O13,pos_2_1iron,630.32514166,WIWGMWMZHXXIAH,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Eremosis triflosculosa,7052625.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Eremosis'],['Eremosis triflosculosa'],6,0,6.0
9382,1420,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,pos_2MH,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],8,0,8.0
9383,1415,672,Fatty acids,Fatty acyls,Fatty aldehydes,0.62421465,ISDB,,,,,,,NOXWNIQIEPDBLD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.496858596801758
9384,1412,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.35125887,ISDB,BVBJSLWZAPVJKX-RTFRMLQUSA-N,"InChI=1S/C22H26O13/c23-6-12-15(27)16(28)17(29)21(33-12)34-20-13-9(3-4-31-20)14(26)18-22(13,35-18)7-32-19(30)8-1-2-10(24)11(25)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14+,15-,16+,17-,18+,20+,21+,22-/m1/s1",O=C(OC[C@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12)c1ccc(O)c(O)c1,C22H26O13,,498.137340892,BVBJSLWZAPVJKX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,3,10.905035495758057
9385,1411,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42875558,ISDB,MSTZNVVCBOEAGA-ZZTPXLKCSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2/t12-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H20O6,,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.215022325515747
9386,1411,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42875558,ISDB,MSTZNVVCBOEAGA-ZZTPXLKCSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2/t12-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H20O6,,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,10.215022325515747
9387,1411,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.42875558,ISDB,MSTZNVVCBOEAGA-UHFFFAOYSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(=O)C(=C)C2C2OC(=O)C(=C)C12,C19H20O6,,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara,991883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Unknown'],7,3,10.215022325515747
9388,1410,334,Terpenoids,Triterpenoids,Cholestane steroids,0.39146715,ISDB,QQPQKASSGVHQFP-LEWDAOKLSA-N,"InChI=1S/C28H42O4/c1-17(2)18(3)8-12-27(5,32)25-24(31)15-23-21-7-6-19-14-20(30)9-11-26(19,4)22(21)10-13-28(23,25)16-29/h8-9,11-12,14,17-18,21-25,29,31-32H,6-7,10,13,15-16H2,1-5H3/b12-8+/t18-,21+,22-,23-,24-,25+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO,C28H42O4,,442.308309824,QQPQKASSGVHQFP,Terpenoids,Steroids,Cholestane steroids,Antipathes subpinnata,791349.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Antipatharia'],['Myriopathidae'],['Unknown'],['Antipathella'],['Antipathella subpinnata'],2,3,5.065868616104126
9389,1410,334,Terpenoids,Triterpenoids,Cholestane steroids,0.39146715,ISDB,QQPQKASSGVHQFP-LEWDAOKLSA-N,"InChI=1S/C28H42O4/c1-17(2)18(3)8-12-27(5,32)25-24(31)15-23-21-7-6-19-14-20(30)9-11-26(19,4)22(21)10-13-28(23,25)16-29/h8-9,11-12,14,17-18,21-25,29,31-32H,6-7,10,13,15-16H2,1-5H3/b12-8+/t18-,21+,22-,23-,24-,25+,26-,27-,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21CO,C28H42O4,,442.308309824,QQPQKASSGVHQFP,Terpenoids,Steroids,Cholestane steroids,Antipathella subpinnata,791349.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Antipatharia'],['Myriopathidae'],['Unknown'],['Antipathella'],['Antipathella subpinnata'],2,3,5.065868616104126
9390,1407,74,Amino acids and Peptides,Small peptides,Aminoacids,0.88676745,ISDB,ODKSFYDXXFIFQN-UHFFFAOYSA-N,"InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)",NC(N)=NCCCC(N)C(=O)O,C6H14N4O2,,174.111675688,ODKSFYDXXFIFQN,Amino acids and Peptides,Small peptides,Aminoacids,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,3,9.047069787979126
9391,1403,-1,,,,0.66577196,ISDB,GUVLNFNFGNJCPX-UHFFFAOYSA-N,"InChI=1S/C10H11NO3S/c12-9-3-1-8(2-4-9)10-7-11-5-6-15(10,13)14/h1-4,7,11-12H,5-6H2",O=S1(=O)CCNC=C1c1ccc(O)cc1,C10H11NO3S,,225.045964212,GUVLNFNFGNJCPX,Alkaloids,,,Phorbas tenacior,950044.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Hymedesmiidae'],['Unknown'],['Phorbas'],['Phorbas tenacior'],0,0,2.663087844848633
9392,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ethylamine,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,1,7.5
9393,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ethylamine,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,1,7.5
9394,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ethylamine,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,1,7.5
9395,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
9396,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
9397,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
9398,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
9399,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
9400,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
9401,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
9402,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ammonium,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
9403,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1proton1ammonium,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
9404,1402,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ammonium,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
9405,1401,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
9406,1401,-1,,,,0.0,MS1_match,YLFRRPUBVUAHSR-RRPFGEQOSA-N,"InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1",CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C21H30O2,pos_2_2sodium,314.2245802,YLFRRPUBVUAHSR,Terpenoids,Steroids,Androstane steroids,Solanum lyratum,693272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lyratum'],8,0,8.0
9407,1396,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49105892,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Globularia alypum,5921385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia alypum'],6,1,8.464235663414001
9408,1396,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49105892,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,1,8.464235663414001
9409,1396,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.49105892,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,8.464235663414001
9410,1395,81,Terpenoids,Apocarotenoids,Megastigmanes,0.61716765,ISDB,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,2,10.46867060661316
9411,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia glareosa,26283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia glareosa'],7,2,8.0
9412,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia niciciana,181004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia niciciana'],7,2,8.0
9413,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia characias,864034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia characias'],7,2,8.0
9414,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,2,8.0
9415,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-HZJYTTRNSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia milii,97174.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia milii'],7,2,8.0
9416,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],7,2,8.0
9417,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,2,8.0
9418,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,OYHQOLUKZRVURQ-UHFFFAOYSA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)",CCCCCC=CCC=CCCCCCCCC(=O)O,C18H32O2,pos_1_1proton1ammonium,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,2,8.0
9419,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,2,8.0
9420,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia niciciana,181004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia niciciana'],7,2,8.0
9421,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia glareosa,26283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia glareosa'],7,2,8.0
9422,1393,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,IPCSVZSSVZVIGE-UHFFFAOYSA-N,"InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)",CCCCCCCCCCCCCCCC(=O)O,C16H32O2,pos_1_1proton1acetonitrile,256.240230264,IPCSVZSSVZVIGE,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Euphorbia milii,97174.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia milii'],7,2,8.0
9423,1391,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QBSLELZDPSOGAN-CZHQAMEJSA-N,"InChI=1S/C19H20O5/c1-22-17-11-13(6-7-15(17)21)18-19(23-2)14-10-12(4-3-9-20)5-8-16(14)24-18/h3-8,10-11,18-21H,9H2,1-2H3/b4-3+/t18-,19+/m0/s1",COc1cc([C@@H]2Oc3ccc(/C=C/CO)cc3[C@H]2OC)ccc1O,C19H20O5,pos_1_1proton,328.13107374,QBSLELZDPSOGAN,Shikimates and Phenylpropanoids,,,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
9424,1391,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GCSCOZFAGAICKH-VLKOAHQCSA-N,"InChI=1S/C19H20O5/c1-9(2)17(21)23-16-13-10(3)8-22-14(13)15(20)19-12(24-19)7-6-11(4)18(16,19)5/h6-8,11-12,16H,1H2,2-5H3/t11-,12-,16+,18+,19+/m0/s1",C=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@]23O[C@H]2C=C[C@H](C)[C@]13C,C19H20O5,pos_1_1proton,328.13107374,GCSCOZFAGAICKH,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio mauricei,6056944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio mauricei'],6,2,7.0
9425,1391,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YHDIZVVHFZZTPO-DCLMNAJPSA-N,"InChI=1S/C19H20O5/c1-8(2)18(21)23-13-7-10(4)14-12(20)6-9(3)15(14)17-16(13)11(5)19(22)24-17/h9,13,16-17H,1,4-7H2,2-3H3/t9-,13+,16-,17-/m1/s1",C=C(C)C(=O)O[C@H]1CC(=C)C2=C([C@H](C)CC2=O)[C@H]2OC(=O)C(=C)[C@H]12,C19H20O5,pos_1_1proton,328.1310737399999,YHDIZVVHFZZTPO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Elephantopus mollis,327306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Elephantopus'],['Elephantopus mollis'],6,2,7.0
9426,1389,-1,,,,0.20205104,ISDB,,,,,,,IESLPZFJVNUONQ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.808204174041748
9427,1388,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
9428,1388,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
9429,1388,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
9430,1388,-1,,,,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1proton1ethylamine,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
9431,1387,-1,,,,0.65998024,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Rehmannia glutinosa,164453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Orobanchaceae'],['Unknown'],['Rehmannia'],['Rehmannia glutinosa'],3,0,5.639920949935913
9432,1387,-1,,,,0.65998024,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],3,0,5.639920949935913
9433,1387,-1,,,,0.65998024,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Pogostemon cablin,595162.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Pogostemoneae'],['Pogostemon'],['Pogostemon cablin'],3,0,5.639920949935913
9434,1387,-1,,,,0.65998024,ISDB,WWUZIQQURGPMPG-KRWOKUGFSA-N,"InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1",CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)CO,C18H37NO2,,299.282429424,WWUZIQQURGPMPG,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],3,0,5.639920949935913
9435,1386,-1,,,,0.0,MS1_match,BUFNPAYKUGAAAO-HLULBIOLSA-N,"InChI=1S/C30H38O5/c1-18(2)7-10-22-23(31)14-20(15-24(22)32)9-8-19-13-21-17-26-29(3,4)27(33)11-12-30(26,5)35-28(21)25(16-19)34-6/h7-9,13-16,26-27,31-33H,10-12,17H2,1-6H3/b9-8+/t26-,27-,30-/m1/s1",COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2,C30H38O5,pos_1_minus1proton1calcium,478.2719243159999,BUFNPAYKUGAAAO,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Macaranga alnifolia,864424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga alnifolia'],6,0,6.0
9436,1383,-1,,,,0.29911825,ISDB,KZIADLALQLRZIQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3",CC1=C2C=C3CCC4C(C)(C)C(O)CCC4(C)C3CC2OC1=O,C20H28O3,,316.203844756,KZIADLALQLRZIQ,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,10.196473002433777
9437,1381,-1,,,,0.2972095,ISDB,,,,,,,CQOAKBVRRVHWKV,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.188838005065918
9438,1378,-1,,,,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9439,1378,-1,,,,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9440,1378,-1,,,,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9441,1378,-1,,,,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1potassium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9442,1377,-1,,,,0.0,MS1_match,FOTVKQTYZXWNAO-KXKLIONSSA-N,"InChI=1S/C27H36O13/c1-34-17-5-12(6-18(35-2)22(17)31)25-14(9-28)15(10-38-27-24(33)21(30)16(29)11-39-27)26(40-25)13-7-19(36-3)23(32)20(8-13)37-4/h5-8,14-16,21,24-33H,9-11H2,1-4H3/t14-,15-,16+,21-,24+,25+,26+,27+/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CO)cc(OC)c1O,C27H36O13,pos_1_1sodium,568.2155912119999,FOTVKQTYZXWNAO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
9443,1377,-1,,,,0.0,MS1_match,FOTVKQTYZXWNAO-KXKLIONSSA-N,"InChI=1S/C27H36O13/c1-34-17-5-12(6-18(35-2)22(17)31)25-14(9-28)15(10-38-27-24(33)21(30)16(29)11-39-27)26(40-25)13-7-19(36-3)23(32)20(8-13)37-4/h5-8,14-16,21,24-33H,9-11H2,1-4H3/t14-,15-,16+,21-,24+,25+,26+,27+/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CO)cc(OC)c1O,C27H36O13,pos_1_1sodium,568.2155912119999,FOTVKQTYZXWNAO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Oryza aristata,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
9444,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,0,6.0
9445,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,0,6.0
9446,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,0,6.0
9447,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver dubium,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,0,6.0
9448,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,0,6.0
9449,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver rupifragum,84025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rupifragum'],6,0,6.0
9450,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver guerlekense,6130813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver guerlekense'],6,0,6.0
9451,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Meconopsis cambrica,542241.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis cambrica'],6,0,6.0
9452,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,0,6.0
9453,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver setiferum,237513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pseudo-orientale'],6,0,6.0
9454,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver albiflorum,5727872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver albiflorum'],6,0,6.0
9455,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver argemone,605766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver argemone'],6,0,6.0
9456,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,0,6.0
9457,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,0,6.0
9458,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,0,6.0
9459,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver lecoqii,6130826.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lecoqii'],6,0,6.0
9460,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,0,6.0
9461,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,0,6.0
9462,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria sepium,5503543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria sepium'],6,0,6.0
9463,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis adunca,5727919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis adunca'],6,0,6.0
9464,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis longicalcarata,5727944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis longicalcarata'],6,0,6.0
9465,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,0,6.0
9466,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,0,6.0
9467,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis ledebouriana,5232171.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ledebouriana'],6,0,6.0
9468,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,0,6.0
9469,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver pavoninum,84038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pavoninum'],6,0,6.0
9470,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,0,6.0
9471,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,0,6.0
9472,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Pseudofumaria lutea,978868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Pseudofumaria'],['Pseudofumaria lutea'],6,0,6.0
9473,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis turtschaninovii,5727965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis turtschaninovii'],6,0,6.0
9474,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Hypecoum erectum,5728017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum erectum'],6,0,6.0
9475,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,0,6.0
9476,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,0,6.0
9477,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis repens,5728014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis repens'],6,0,6.0
9478,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,0,6.0
9479,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,0,6.0
9480,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,0,6.0
9481,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,0,6.0
9482,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,0,6.0
9483,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria judaica,5503537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria judaica'],6,0,6.0
9484,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,0,6.0
9485,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Argemone alba,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,0,6.0
9486,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Hunnemannia fumariifolia,96180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hunnemannia'],['Hunnemannia fumariifolia'],6,0,6.0
9487,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,0,6.0
9488,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,0,6.0
9489,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis govaniana,5727971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis govaniana'],6,0,6.0
9490,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Argemone grandiflora,739052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone grandiflora'],6,0,6.0
9491,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,0,6.0
9492,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,0,6.0
9493,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,0,6.0
9494,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,0,6.0
9495,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Dicranostigma lactucoides,510012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicranostigma'],['Dicranostigma lactucoides'],6,0,6.0
9496,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,0,6.0
9497,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,0,6.0
9498,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,0,6.0
9499,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,0,6.0
9500,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9501,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,0,6.0
9502,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,0,6.0
9503,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria petteri,5503540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria petteri'],6,0,6.0
9504,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,0,6.0
9505,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver atlanticum,605770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver atlanticum'],6,0,6.0
9506,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Papaver glaucum,84040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver glaucum'],6,0,6.0
9507,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Hypecoum procumbens,620741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum procumbens'],6,0,6.0
9508,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Hypecoum leptocarpum,304278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum leptocarpum'],6,0,6.0
9509,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Stylophorum lasiocarpum,1086764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum lasiocarpum'],6,0,6.0
9510,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,0,6.0
9511,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,0,6.0
9512,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,0,6.0
9513,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,0,6.0
9514,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis dasyptera,6130343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis dasyptera'],6,0,6.0
9515,1374,-1,,,,0.0,MS1_match,XYHOBCMEDLZUMP-UHFFFAOYSA-N,"InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1",c1c2c(cc3c1OCO3)-c1cc3ccc4c(c3c[n+]1CC2)OCO4,C19H14NO4+,pos_1_minus1proton2sodium,320.0917343480899,XYHOBCMEDLZUMP,Alkaloids,Tyrosine alkaloids,Protoberberine alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,0,6.0
9516,1372,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,BRVXVMOWTHQKHC-HIAHFQITSA-N,"InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+",CC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C,C33H44O9,pos_1_1proton1ammonium,584.2985329879998,BRVXVMOWTHQKHC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9517,1371,-1,,,,0.0,MS1_match,WINFSIMEBFWGGD-KXWFOMFWSA-N,"InChI=1S/C29H32O17/c1-10(31)41-9-18-21(36)23(38)25(40)28(45-18)46-27-24(39)20(35)17(8-30)44-29(27)43-16-7-14(34)19-13(33)6-15(42-26(19)22(16)37)11-2-4-12(32)5-3-11/h2-7,17-18,20-21,23-25,27-30,32,34-40H,8-9H2,1H3/t17-,18-,20-,21-,23-,24+,25-,27-,28+,29-/m1/s1",CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O,C29H32O17,pos_1_1proton,652.163949564,WINFSIMEBFWGGD,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],8,0,8.0
9518,1368,-1,,,,0.0,MS1_match,OUSLYTBGQGKTME-UHFFFAOYSA-N,"InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2",O=C1C(OC2OC(CO)C(O)C(O)C2O)Oc2ccccc2N1O,C14H17NO9,pos_1_1proton1isopropanol,343.090331124,OUSLYTBGQGKTME,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9519,1367,-1,,,,0.44052118,ISDB,IWJBVMJWSPZNJH-UQGZVRACSA-N,"InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1",CCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C8H14O7,,222.073952788,IWJBVMJWSPZNJH,,,,Ambystoma mexicanum,984726.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Caudata'],['Ambystomatidae'],['Unknown'],['Ambystoma'],['Ambystoma mexicanum'],2,0,3.762084722518921
9520,1366,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,1,6.5
9521,1366,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,1,6.5
9522,1366,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-YWQRSDGBSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m0/s1",O=C1O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.06378202799993,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,1,6.5
9523,1366,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,GDYGAIKPBLFCKR-OIPGZRGRSA-N,"InChI=1S/C13H14O9/c14-2-5-8(17)10(19)12-11(21-5)6-3(13(20)22-12)1-4(15)7(16)9(6)18/h1,5,8,10-12,14-19H,2H2/t5-,8-,10+,11+,12-/m1/s1",O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c1cc(O)c(O)c2O,C13H14O9,pos_1_1proton,314.063782028,GDYGAIKPBLFCKR,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,1,6.5
9524,1361,-1,,,,0.0,MS1_match,RWMUHOYQLHWQKA-GMDXDWKASA-N,"InChI=1S/C14H26O9S/c1-3-5-6-7-9(4-2)22-14-13(17)12(16)11(15)10(23-14)8-21-24(18,19)20/h4,9-17H,2-3,5-8H2,1H3,(H,18,19,20)/t9-,10+,11+,12-,13+,14+/m0/s1",C=C[C@@H](CCCCC)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C14H26O9S,pos_1_minus1proton2sodium,370.129753412,RWMUHOYQLHWQKA,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
9525,1361,-1,,,,0.0,MS1_match,RWMUHOYQLHWQKA-GMDXDWKASA-N,"InChI=1S/C14H26O9S/c1-3-5-6-7-9(4-2)22-14-13(17)12(16)11(15)10(23-14)8-21-24(18,19)20/h4,9-17H,2-3,5-8H2,1H3,(H,18,19,20)/t9-,10+,11+,12-,13+,14+/m0/s1",C=C[C@@H](CCCCC)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C14H26O9S,pos_1_minus1proton2sodium,370.129753412,RWMUHOYQLHWQKA,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
9526,1361,-1,,,,0.0,MS1_match,RWMUHOYQLHWQKA-MXNNCRBYSA-N,"InChI=1S/C14H26O9S/c1-3-5-6-7-9(4-2)22-14-13(17)12(16)11(15)10(23-14)8-21-24(18,19)20/h4,9-17H,2-3,5-8H2,1H3,(H,18,19,20)/t9?,10-,11-,12+,13-,14-/m1/s1",C=CC(CCCCC)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O,C14H26O9S,pos_1_minus1proton2sodium,370.129753412,RWMUHOYQLHWQKA,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
9527,1360,-1,,,,0.0,MS1_match,ZSZIYSIYMPMVLO-YABRITBBSA-N,"InChI=1S/C27H39NO3/c1-15-11-24-27(31-24)17(3)25-22(28(27)14-15)13-21-20(23(30)9-10-26(21,25)4)8-6-18-12-19(29)7-5-16(18)2/h5,7,12,15,17,20-25,29-30H,6,8-11,13-14H2,1-4H3/t15-,17-,20-,21-,22-,23-,24+,25-,26-,27+/m0/s1",Cc1ccc(O)cc1CC[C@@H]1[C@@H](O)CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)N1C[C@@H](C)C[C@H]2O[C@]21[C@H]3C,C27H39NO3,pos_1_1proton,425.292994108,ZSZIYSIYMPMVLO,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum campaniforme,311874.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum campanulatum'],8,0,8.0
9528,1355,-1,,,,0.58419716,ISDB,BRAYABJZDYAJCB-UHFFFAOYSA-N,"InChI=1S/C20H34O2/c1-6-17(2,21)10-8-16-18(3)11-7-14-13-19(14,4)15(18)9-12-20(16,5)22/h6,14-16,21-22H,1,7-13H2,2-5H3",C=CC(C)(O)CCC1C(C)(O)CCC2C3(C)CC3CCC12C,C20H34O2,,306.255880328,BRAYABJZDYAJCB,Terpenoids,Diterpenoids,Labdane diterpenoids,Semicassis undulata,7495192.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Littorinimorpha'],['Cassidae'],['Unknown'],['Semicassis'],['Semicassis undulata'],4,0,6.336788654327393
9529,1353,-1,,,,0.25042674,ISDB,,,,,,,SIJZEPPJMDNHIU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0017069578170776
9530,1352,558,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
9531,1349,-1,,,,0.0,MS1_match,XSSDYIMYZONMBL-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C13H16O8,pos_1_1sodium,300.084517472,XSSDYIMYZONMBL,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9532,1349,-1,,,,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1sodium,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9533,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-CTJUJGJMSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3+,4-,5+,6-,7+",CO[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],6,0,6.0
9534,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-VQPJZGIOSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5+,6-,7-",CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Anaphalis sinica,962351.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Anaphalis'],['Anaphalis sinica'],6,0,6.0
9535,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-CIXXMWBBSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4?,5?,6?,7?/m1/s1",COC1C(O)C(O)C(O)[C@@H](O)C1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],6,0,6.0
9536,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-CIXXMWBBSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4?,5?,6?,7?/m1/s1",COC1C(O)C(O)C(O)[C@@H](O)C1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Artemisia sacrorum,184289.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia sacrorum'],6,0,6.0
9537,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-MBXCVVGISA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5+,6+,7?/m0/s1",COC1[C@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Artemisia iwayomogi,361557.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia iwayomogi'],6,0,6.0
9538,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-FEPQRWDDSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1",COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Pseudognaphalium schraderi,7601784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Pseudognaphalium'],['Pseudognaphalium schraderi'],6,0,6.0
9539,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-FEPQRWDDSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2?,3-,4-,5-,6+,7?/m0/s1",COC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Pseudognaphalium pellitum,7601770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Pseudognaphalium'],['Pseudognaphalium pellitum'],6,0,6.0
9540,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-FIZWYUIZSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6+,7-/m0/s1",CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Artemisia suksdorfii,850773.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia suksdorfii'],6,0,6.0
9541,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-IEMWZLDZSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7+/m0/s1",CO[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Eriocephalus punctulatus,7596688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Eriocephalus'],['Eriocephalus punctulatus'],6,0,6.0
9542,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,DSCFFEYYQKSRSV-FIZWYUIZSA-N,"InChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4-,5+,6+,7-/m0/s1",CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,DSCFFEYYQKSRSV,Carbohydrates,Polyols,Cyclitols,Tithonia diversifolia,32107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Tithonia'],['Tithonia diversifolia'],6,0,6.0
9543,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YBLJYSTXRAWBBH-PZRMXXKTSA-N,"InChI=1S/C7H14O6/c1-7(12)6(11)5(10)4(9)3(2-8)13-7/h3-6,8-12H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1",C[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,YBLJYSTXRAWBBH,Carbohydrates,Saccharides,Monosaccharides,Cichorium intybus,692350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Cichorium'],['Cichorium intybus'],6,0,6.0
9544,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,HOVAGTYPODGVJG-PZRMXXKTSA-N,"InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1",CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,HOVAGTYPODGVJG,Carbohydrates,Saccharides,Disaccharides,Cichorium intybus,692350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Cichorium'],['Cichorium intybus'],6,0,6.0
9545,1346,179,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JPHVNZOOBXUCDJ-MVIOUDGNSA-N,"InChI=1S/C7H14O6/c1-12-7(3-9)6(11)5(10)4(2-8)13-7/h4-6,8-11H,2-3H2,1H3/t4-,5-,6+,7-/m1/s1",CO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O,C7H14O6,pos_2MCH3CNNa,194.079038168,JPHVNZOOBXUCDJ,Carbohydrates,Saccharides,Monosaccharides,Artemisia monosperma,536919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia monosperma'],6,0,6.0
9546,1341,-1,,,,0.50469446,ISDB,HKKOLWQOYBQKEY-GWWNCLRWSA-N,"InChI=1S/C23H38O4/c1-14(2)15-8-9-22(3)10-11-23(4)17(20(15)22)13-18(25-5)16(12-19(23)24)21(26-6)27-7/h12,14,17-19,21,24H,8-11,13H2,1-7H3/t17-,18-,19+,22-,23-/m1/s1",COC(OC)C1=C[C@H](O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2C[C@H]1OC,C23H38O4,,378.277009696,HKKOLWQOYBQKEY,Terpenoids,Diterpenoids,Cyathane diterpenoids,Cyathus hookeri,136696.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Agaricaceae'],['Unknown'],['Cyathus'],['Cyathus hookeri'],1,0,3.018777847290039
9547,1340,-1,,,,0.0,MS1_match,RINHYCZCUGCZAJ-IPXOVKFZSA-N,"InChI=1S/C20H28O10/c21-12-9-28-19(17(25)14(12)22)29-10-13-15(23)16(24)18(26)20(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1",O[C@@H]1[C@@H](O)[C@H](OC/C=C/c2ccccc2)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,C20H28O10,pos_2_2proton,428.1682470959998,RINHYCZCUGCZAJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
9548,1340,-1,,,,0.0,MS1_match,RINHYCZCUGCZAJ-IPXOVKFZSA-N,"InChI=1S/C20H28O10/c21-12-9-28-19(17(25)14(12)22)29-10-13-15(23)16(24)18(26)20(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1",O[C@@H]1[C@@H](O)[C@H](OC/C=C/c2ccccc2)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,C20H28O10,pos_2_2proton,428.1682470959998,RINHYCZCUGCZAJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
9549,1340,-1,,,,0.0,MS1_match,WXTMDXOMEHJXQO-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",O=C(O)c1cc(O)ccc1O,C7H6O4,pos_1_1proton1isopropanol,154.026608672,WXTMDXOMEHJXQO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
9550,1338,273,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,LPMFTVSSVYMEIF-XNOXVDSJSA-N,"InChI=1S/C26H42O2/c1-17(6-5-15-27)18-7-8-19-20-9-10-21-23(2,3)22(28)11-12-26(21)16-25(20,26)14-13-24(18,19)4/h15,17-22,28H,5-14,16H2,1-4H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-/m1/s1",C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C26H42O2,pos_1_minus1proton1iron,386.318480584,LPMFTVSSVYMEIF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],7,1,7.5
9551,1337,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OCPXLBDSVHVVEA-UHFFFAOYSA-N,"InChI=1S/C21H32O13/c1-30-11-3-2-9(6-10(11)24)4-5-31-20-18(29)19(15(26)13(8-23)32-20)34-21-17(28)16(27)14(25)12(7-22)33-21/h2-3,6,12-29H,4-5,7-8H2,1H3",COc1ccc(CCOC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)cc1O,C21H32O13,pos_1_1sodium1acetonitrile,492.184291084,OCPXLBDSVHVVEA,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
9552,1334,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.54217523,ISDB,MQFLXLMNOHHPTC-UHFFFAOYSA-N,"InChI=1S/C11H21NOS2/c1-15(13)10-8-6-4-2-3-5-7-9-12-11-14/h2-10H2,1H3",C[S+]([O-])CCCCCCCCCN=C=S,C11H21NOS2,,247.106456292,MQFLXLMNOHHPTC,,,,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],6,0,8.168700933456421
9553,1334,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.54217523,ISDB,MQFLXLMNOHHPTC-HNNXBMFYSA-N,"InChI=1S/C11H21NOS2/c1-15(13)10-8-6-4-2-3-5-7-9-12-11-14/h2-10H2,1H3/t15-/m0/s1",C[S@+]([O-])CCCCCCCCCN=C=S,C11H21NOS2,,247.106456292,MQFLXLMNOHHPTC,,,,Arabis alpina,35933.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Arabideae'],['Arabis'],['Arabis alpina'],6,0,8.168700933456421
9554,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,3,7.5
9555,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,3,7.5
9556,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,3,7.5
9557,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,7.5
9558,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,3,7.5
9559,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,3,7.5
9560,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],6,3,7.5
9561,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AHWVRZQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m0/s1",COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Avena byzantina,944133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena byzantina'],6,3,7.5
9562,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AOYPEHQESA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26-/m1/s1",COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.147511652,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,7.5
9563,1331,606,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,0.0,MS1_match,WXNJNHFYIWEHIL-AZGAKELHSA-N,"InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2OC)ccc1O,C27H26O11,pos_1_1sodium,526.1475116519999,WXNJNHFYIWEHIL,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,3,7.5
9564,1330,124,Fatty acids,Fatty amides,Primary amides,0.6693327,ISDB,CAMNFGRSYHBOEL-CHWSQXEVSA-N,"InChI=1S/C13H27N/c1-3-5-7-9-13-11-10-12(14-13)8-6-4-2/h12-14H,3-11H2,1-2H3/t12-,13-/m1/s1",CCCCC[C@@H]1CC[C@@H](CCCC)N1,C13H27N,,197.214349864,CAMNFGRSYHBOEL,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Myrmicaria melanogaster,3254444.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Myrmicariini'],['Myrmicaria'],['Myrmicaria melanogaster'],2,0,4.677330732345581
9565,1329,-1,,,,0.0,MS1_match,IHCDDIKRSYLACI-NQQSPGLISA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33+,34-,35+,36-,37-,39+,41-,42+,43+,44+/m0/s1",C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O,C44H76O3,pos_1_minus1proton1iron,652.579446292,IHCDDIKRSYLACI,Terpenoids,Triterpenoids,Lupane triterpenoids,Achillea alexandri-regis,3899329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea alexandri-regis'],6,0,6.0
9566,1329,-1,,,,0.0,MS1_match,IHCDDIKRSYLACI-NLMIVNHISA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33-,34-,35+,36-,37-,39+,41-,42+,43+,44+/m0/s1",C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O,C44H76O3,pos_1_minus1proton1iron,652.579446292,IHCDDIKRSYLACI,Terpenoids,Triterpenoids,Lupane triterpenoids,Arnica lonchophylla,942730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica lonchophylla'],6,0,6.0
9567,1329,-1,,,,0.0,MS1_match,IHCDDIKRSYLACI-NQQSPGLISA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33+,34-,35+,36-,37-,39+,41-,42+,43+,44+/m0/s1",C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O,C44H76O3,pos_1_minus1proton1iron,652.579446292,IHCDDIKRSYLACI,Terpenoids,Triterpenoids,Lupane triterpenoids,Pentanema britannicum,587344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema britannicum'],6,0,6.0
9568,1329,-1,,,,0.0,MS1_match,IHCDDIKRSYLACI-NQQSPGLISA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33+,34-,35+,36-,37-,39+,41-,42+,43+,44+/m0/s1",C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O,C44H76O3,pos_1_minus1proton1iron,652.579446292,IHCDDIKRSYLACI,Terpenoids,Triterpenoids,Lupane triterpenoids,Inula britannica,587344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pentanema'],['Pentanema britannicum'],6,0,6.0
9569,1329,-1,,,,0.0,MS1_match,IHCDDIKRSYLACI-JVFFPKSBSA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(31(2)3)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1",C=C(C)[C@H]1CC[C@@]2(C)[C@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O,C44H76O3,pos_1_minus1proton1iron,652.579446292,IHCDDIKRSYLACI,Terpenoids,Triterpenoids,Lupane triterpenoids,Roldana barba-johannis,863995.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Roldana'],['Roldana barba-johannis'],6,0,6.0
9570,1329,-1,,,,0.0,MS1_match,RWBOMXGEKDSWEP-JVFFPKSBSA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1",C=C1CC[C@@]2(C)[C@H]([C@@H]1C)[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O,C44H76O3,pos_1_minus1proton1iron,652.579446292,RWBOMXGEKDSWEP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Achillea alexandri-regis,3899329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea alexandri-regis'],6,0,6.0
9571,1329,-1,,,,0.0,MS1_match,RWBOMXGEKDSWEP-JVFFPKSBSA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h32-37,39,45H,2,10-30H2,1,3-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1",C=C1CC[C@@]2(C)[C@H]([C@@H]1C)[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O,C44H76O3,pos_1_minus1proton1iron,652.579446292,RWBOMXGEKDSWEP,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Arnica lonchophylla,942730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica lonchophylla'],6,0,6.0
9572,1329,-1,,,,0.0,MS1_match,XQMZNCFIEZVHBU-UVOYCXMHSA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-25-26-42(7)34(40(37,4)5)24-27-43(8)35(42)23-22-32-33-30-39(2,3)28-29-41(33,6)36(45)31-44(32,43)9/h22,33-37,45H,10-21,23-31H2,1-9H3/t33-,34-,35+,36-,37-,41-,42-,43+,44+/m0/s1",CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C44H76O3,pos_1_minus1proton1iron,652.579446292,XQMZNCFIEZVHBU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Achillea alexandri-regis,3899329.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea alexandri-regis'],6,0,6.0
9573,1329,-1,,,,0.0,MS1_match,XQMZNCFIEZVHBU-UVOYCXMHSA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-25-26-42(7)34(40(37,4)5)24-27-43(8)35(42)23-22-32-33-30-39(2,3)28-29-41(33,6)36(45)31-44(32,43)9/h22,33-37,45H,10-21,23-31H2,1-9H3/t33-,34-,35+,36-,37-,41-,42-,43+,44+/m0/s1",CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C44H76O3,pos_1_minus1proton1iron,652.579446292,XQMZNCFIEZVHBU,Terpenoids,Triterpenoids,Oleanane triterpenoids,Arnica lonchophylla,942730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica lonchophylla'],6,0,6.0
9574,1329,-1,,,,0.0,MS1_match,NBOLCRCNSYVBMT-UHFFFAOYSA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h24,32-37,39,45H,10-23,25-30H2,1-9H3",CCCCCCCCCCCCCC(=O)OC1CCC2(C)C(CCC3(C)C2CCC2C4C(C)C(C)=CCC4(C)C(O)CC23C)C1(C)C,C44H76O3,pos_1_minus1proton1iron,652.579446292,NBOLCRCNSYVBMT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Calendula officinalis,768229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Calenduleae'],['Calendula'],['Calendula officinalis'],6,0,6.0
9575,1329,-1,,,,0.0,MS1_match,NBOLCRCNSYVBMT-JVFFPKSBSA-N,"InChI=1S/C44H76O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(46)47-37-26-28-41(6)34(40(37,4)5)25-29-43(8)35(41)23-22-33-39-32(3)31(2)24-27-42(39,7)36(45)30-44(33,43)9/h24,32-37,39,45H,10-23,25-30H2,1-9H3/t32-,33-,34+,35-,36+,37+,39-,41+,42-,43-,44-/m1/s1",CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C)C(C)=CC[C@]5(C)[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C44H76O3,pos_1_minus1proton1iron,652.579446292,NBOLCRCNSYVBMT,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Arnica lonchophylla,942730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica lonchophylla'],6,0,6.0
9576,1326,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5360771,ISDB,PSJUKNBMBYBQSO-IKKZXAHCSA-N,"InChI=1S/C13H18O/c1-8-3-4-11-12(14)9(2)10-5-6-13(8,11)7-10/h8,10-11H,2-7H2,1H3/t8-,10+,11?,13-/m0/s1",C=C1C(=O)C2CC[C@H](C)[C@@]23CC[C@@H]1C3,C13H18O,,190.135765196,PSJUKNBMBYBQSO,Terpenoids,Sesquiterpenoids,,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],6,2,9.14430832862854
9577,1324,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-STPOGHIWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20+,22+,24-,25+,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.147905576,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9578,1324,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-FLCGOUAWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9+,19+,20-,22-,24-,25+,26-,27+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@@H](C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.1479055759999,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,0,6.0
9579,1324,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-STPOGHIWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9-,19-,20+,22+,24-,25+,26+,27-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.147905576,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9580,1324,-1,,,,0.0,MS1_match,WGIMZJFXUGTVFX-FLCGOUAWSA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22,24-29,31-35,37H,1-2H3/t8-,9+,19+,20-,22-,24-,25+,26-,27+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)[C@H](O)[C@@H](C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H28O14,pos_1_1proton,576.1479055759999,WGIMZJFXUGTVFX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,0,6.0
9581,1324,-1,,,,0.0,MS1_match,GKLSYIMLZDYQBJ-CGOKOBCESA-N,"InChI=1S/C27H28O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19,22-29,31-32,34-37H,1-2H3/t8-,9+,19+,22-,23+,24-,25+,26-,27+/m0/s1",C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)C1=O,C27H28O14,pos_1_1proton,576.1479055759999,GKLSYIMLZDYQBJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
9582,1323,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RKQHYHRCSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_minus1proton1calcium,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Croton chilensis,958038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton chilensis'],6,0,6.0
9583,1322,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],6,1,6.5
9584,1322,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],6,1,6.5
9585,1322,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],6,1,6.5
9586,1322,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,QUZHZFAQJATMCA-QAZQWDDOSA-N,"InChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC,C45H74O10,pos_1_1proton1ammonium,774.5281985680001,QUZHZFAQJATMCA,Fatty acids,Glycerolipids,Glycosyldiacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],6,1,6.5
9587,1320,420,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,0.3493685,ISDB,IHFRPKCRDFDADJ-FUJDEKNSSA-N,"InChI=1S/C18H26O2/c1-12-14(19)5-6-15-17(12,3)8-7-13-11-16(2,20)9-10-18(13,15)4/h5-6,13,15,20H,1,7-11H2,2-4H3/t13-,15-,16-,17+,18-/m0/s1",C=C1C(=O)C=C[C@@H]2[C@@]3(C)CC[C@](C)(O)C[C@@H]3CC[C@]12C,C18H26O2,,274.193280072,IHFRPKCRDFDADJ,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Ceriops tagal,163833.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Ceriops'],['Ceriops tagal'],1,3,3.8974740505218506
9588,1319,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,CUTXDRAZOCKUFQ-IWRBTPAJSA-N,"InChI=1S/C47H75NO17/c1-19-13-29(60-22(4)51)33-20(2)32-28(48(33)16-19)15-27-25-8-7-23-14-24(9-11-46(23,5)26(25)10-12-47(27,32)6)61-45-42(65-43-39(57)37(55)34(52)21(3)59-43)41(36(54)31(18-50)63-45)64-44-40(58)38(56)35(53)30(17-49)62-44/h7,19-21,24-45,49-50,52-58H,8-18H2,1-6H3/t19-,20-,21-,24-,25+,26-,27-,28-,29-,30+,31+,32-,33-,34-,35+,36-,37+,38-,39+,40+,41-,42+,43-,44-,45+,46-,47-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C47H75NO17,pos_1_1proton,925.50349994,CUTXDRAZOCKUFQ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,9.5
9589,1314,-1,,,,0.0,MS1_match,GEHPRJRWZDWFBJ-UHFFFAOYSA-N,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)",CCCCCCCCCCCCCCC=CC(=O)O,C17H32O2,pos_1_1proton1ammonium,268.240230264,GEHPRJRWZDWFBJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
9590,1314,-1,,,,0.0,MS1_match,GEHPRJRWZDWFBJ-UHFFFAOYSA-N,"InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h15-16H,2-14H2,1H3,(H,18,19)",CCCCCCCCCCCCCCC=CC(=O)O,C17H32O2,pos_1_1proton1ammonium,268.240230264,GEHPRJRWZDWFBJ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Durio zibethinus,236622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Durio'],['Durio zibethinus'],6,0,6.0
9591,1312,177,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MQDPENCMQHIPPK-OYKQRTELSA-N,"InChI=1S/C41H44N2O11/c1-22-18-41(50)30(31(22)53-36(47)26-14-10-16-43-20-26)33(54-35(46)24-11-7-6-8-12-24)39(4)28(52-23(2)44)17-27-29(32(39)40(5,49)37(41)48)38(27,3)21-51-34(45)25-13-9-15-42-19-25/h6-16,19-20,22,27-33,49-50H,17-18,21H2,1-5H3/t22-,27-,28-,29-,30+,31-,32+,33+,38-,39+,40-,41+/m0/s1",CC(=O)O[C@H]1C[C@H]2[C@@H]([C@@H]3[C@]1(C)[C@H](OC(=O)c1ccccc1)[C@H]1[C@@H](OC(=O)c4cccnc4)[C@@H](C)C[C@]1(O)C(=O)[C@@]3(C)O)[C@@]2(C)COC(=O)c1cccnc1,C41H44N2O11,pos_2_2proton2acetonitrile,740.294510228,MQDPENCMQHIPPK,Terpenoids,Diterpenoids,Premyrsinane diterpenoids,Euphorbia sequieriana,3912714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sequieriana'],7,2,8.0
9592,1311,-1,,,,0.0,MS1_match,ZYEMGPIYFIJGTP-UHFFFAOYSA-N,"InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3",C=CCc1ccc(OC)c(OC)c1,C11H14O2,pos_2MHCH3CN,178.099379688,ZYEMGPIYFIJGTP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon flexuosus,186966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon flexuosus'],6,0,6.0
9593,1310,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,LKZNLGSMAMRYPE-WHZLBBPDSA-N,"InChI=1S/C35H46O20/c1-14-24(43)26(45)28(47)33(50-14)54-31-30(53-23(42)7-4-15-2-5-17(38)19(40)10-15)22(13-37)52-35(49-9-8-16-3-6-18(39)20(41)11-16)32(31)55-34-29(48)27(46)25(44)21(12-36)51-34/h2-7,10-11,14,21-22,24-41,43-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31-,32+,33-,34-,35+/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_3_3sodium,786.258243872,LKZNLGSMAMRYPE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica pectinata,91029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pectinata'],7,3,8.5
9594,1310,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,BKESKOXPMZUPRR-MSUWPPSTSA-N,"InChI=1S/C35H46O20/c1-14-31(55-35-28(46)25(43)24(42)21(12-36)52-35)26(44)29(47)34(51-14)50-13-22-32(54-23(41)7-4-15-2-5-17(37)19(39)10-15)27(45)30(48)33(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33+,34+,35-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C35H46O20,pos_3_3sodium,786.2582438720001,BKESKOXPMZUPRR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],7,3,8.5
9595,1310,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,NATCYWOQXLKDNI-WVTGFULCSA-N,"InChI=1S/C35H46O20/c1-48-21-6-3-16(11-19(21)39)8-9-49-35-32(55-33-29(46)25(42)20(40)13-51-33)31(54-34-30(47)28(45)26(43)22(12-36)52-34)27(44)23(53-35)14-50-24(41)7-4-15-2-5-17(37)18(38)10-15/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m1/s1",COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1O,C35H46O20,pos_3_3sodium,786.258243872,NATCYWOQXLKDNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],7,3,8.5
9596,1310,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,FDUMKOUWARULGH-DLJARKJQSA-N,"InChI=1S/C35H46O20/c1-48-21-11-15(3-6-18(21)39)4-7-24(42)53-30-23(13-37)52-35(49-9-8-16-2-5-17(38)19(40)10-16)32(55-33-28(46)25(43)20(41)14-50-33)31(30)54-34-29(47)27(45)26(44)22(12-36)51-34/h2-7,10-11,20,22-23,25-41,43-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1",COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](OCCc3ccc(O)c(O)c3)O[C@@H]2CO)ccc1O,C35H46O20,pos_3_3sodium,786.258243872,FDUMKOUWARULGH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],7,3,8.5
9597,1310,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,OCSRFYYLDUASCY-WVTGFULCSA-N,"InChI=1S/C35H46O20/c1-48-21-11-15(3-6-18(21)38)4-7-24(41)50-14-23-27(44)31(54-34-30(47)28(45)26(43)22(12-36)52-34)32(55-33-29(46)25(42)20(40)13-51-33)35(53-23)49-9-8-16-2-5-17(37)19(39)10-16/h2-7,10-11,20,22-23,25-40,42-47H,8-9,12-14H2,1H3/b7-4+/t20-,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33-,34+,35-/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)ccc1O,C35H46O20,pos_3_3sodium,786.258243872,OCSRFYYLDUASCY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],7,3,8.5
9598,1308,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9599,1308,-1,,,,0.0,MS1_match,GOSWTRUMMSCNCW-MLFWJJQPSA-N,"InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2-/t9-,11+,12+,15+/m0/s1",C/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O)CO,C15H21N5O5,pos_1_1proton1acetonitrile,351.154268772,GOSWTRUMMSCNCW,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9600,1303,-1,,,,0.0,MS1_match,QEGQIJLALWETNE-CLGLNXEMSA-N,"InChI=1S/C27H38O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h8,10,13,16-17,20-24H,5-7,9,11-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H38O3,pos_1_1proton1ammonium,410.282095076,QEGQIJLALWETNE,Terpenoids,Steroids,Spirostane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,8.0
9601,1303,-1,,,,0.0,MS1_match,AAYKNQSAVBPQIG-UHFFFAOYSA-N,"InChI=1S/C27H41NO3/c1-15-13-22(28-14-15)24(30)16(2)18-7-8-19-17-5-6-21-25(31)23(29)10-12-27(21,4)20(17)9-11-26(18,19)3/h15-21,23,29H,5-14H2,1-4H3",CC1CN=C(C(=O)C(C)C2CCC3C4CCC5C(=O)C(O)CCC5(C)C4CCC23C)C1,C27H41NO3,pos_1_1proton,427.308644172,AAYKNQSAVBPQIG,Terpenoids,Steroids,,Solanum obliquum,722338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum obliquum'],8,0,8.0
9602,1303,-1,,,,0.0,MS1_match,AAYKNQSAVBPQIG-UHFFFAOYSA-N,"InChI=1S/C27H41NO3/c1-15-13-22(28-14-15)24(30)16(2)18-7-8-19-17-5-6-21-25(31)23(29)10-12-27(21,4)20(17)9-11-26(18,19)3/h15-21,23,29H,5-14H2,1-4H3",CC1CN=C(C(=O)C(C)C2CCC3C4CCC5C(=O)C(O)CCC5(C)C4CCC23C)C1,C27H41NO3,pos_1_1proton,427.308644172,AAYKNQSAVBPQIG,Terpenoids,Steroids,,Solanum oblongifolium,3870049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum oblongifolium'],8,0,8.0
9603,1303,-1,,,,0.0,MS1_match,OENGBQNNEVGXFX-YBMSBAGSSA-N,"InChI=1S/C27H41NO3/c1-15-11-22(28-14-15)25(31)16(2)24-23(30)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-21,23-24,29-30H,6-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,23+,24-,26-,27-/m0/s1",C[C@@H]1CN=C(C(=O)[C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1,C27H41NO3,pos_1_1proton,427.308644172,OENGBQNNEVGXFX,Terpenoids,Steroids,Pregnane steroids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,0,8.0
9604,1302,166,,,,0.62347394,ISDB,,,,,,,XZARHVHXYGIXLB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.4938957691192627
9605,1300,-1,,,,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,0,6.0
9606,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon linarioides,998381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon linarioides'],6,0,6.0
9607,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-PHXIFTSBSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14-,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon gentianoides,505859.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon gentianoides'],6,0,6.0
9608,1300,-1,,,,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1potassium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
9609,1300,-1,,,,0.0,MS1_match,XQUFDDXBHJINGZ-ZAALRAECSA-N,"InChI=1S/C16H24O9/c1-16(22)3-2-8-7(4-17)6-23-14(10(8)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6,8-15,18-22H,2-3,5H2,1H3/t8-,9-,10-,11-,12+,13+,14+,15+,16+/m1/s1",C[C@]1(O)CC[C@@H]2C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]21,C16H24O9,pos_1_1potassium,360.142032348,XQUFDDXBHJINGZ,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
9610,1300,-1,,,,0.0,MS1_match,OQQDSUSKGYTVLM-BTANCPAZSA-N,"InChI=1S/C16H24O9/c1-6-2-9(18)11-7(6)4-23-5-8(11)15(22)25-16-14(21)13(20)12(19)10(3-17)24-16/h5-7,9-14,16-21H,2-4H2,1H3/t6-,7-,9-,10-,11+,12-,13+,14-,16+/m1/s1",C[C@@H]1C[C@@H](O)[C@@H]2C(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=COC[C@@H]21,C16H24O9,pos_1_1potassium,360.142032348,OQQDSUSKGYTVLM,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,0,6.0
9611,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Antirrhinum majus,596457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Antirrhinum'],['Antirrhinum majus'],6,0,6.0
9612,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon roseus,7053913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon roseus'],6,0,6.0
9613,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
9614,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Kickxia commutata,6072506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Kickxia'],['Kickxia commutata'],6,0,6.0
9615,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Kickxia elatine,300879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Kickxia'],['Kickxia elatine'],6,0,6.0
9616,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria flava,807453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria flava'],6,0,6.0
9617,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria arcusangeli,6072536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria arcusangeli'],6,0,6.0
9618,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria pelisseriana,4724905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria pelisseriana'],6,0,6.0
9619,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria vulgaris,989669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria vulgaris'],6,0,6.0
9620,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria simplex,256163.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria simplex'],6,0,6.0
9621,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-XNMVDKJESA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3/t5-,6-,7+,8-,9-,10-,11-,12+,13+,14-,15+/m1/s1",C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria genistifolia,116263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria genistifolia'],6,0,6.0
9622,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
9623,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
9624,1300,-1,,,,0.0,MS1_match,DSXFHNSGLYXPNG-PKUPRILXSA-N,"InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",C[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.1420323479999,DSXFHNSGLYXPNG,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,0,6.0
9625,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barrettiae,543219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barrettiae'],6,0,6.0
9626,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon parryi,465960.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon parryi'],6,0,6.0
9627,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago sempervirens,811311.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago sempervirens'],6,0,6.0
9628,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago webbii,959597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago webbii'],6,0,6.0
9629,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,0,6.0
9630,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon auriberbis,174889.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon auriberbis'],6,0,6.0
9631,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago afra,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,0,6.0
9632,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago indica,217276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago indica'],6,0,6.0
9633,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
9634,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,0,6.0
9635,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon barbatus,899968.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon barbatus'],6,0,6.0
9636,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon rydbergii,673713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon rydbergii'],6,0,6.0
9637,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-FHZCTKOVSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon whippleanus,23649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon whippleanus'],6,0,6.0
9638,1300,-1,,,,0.0,MS1_match,QCCRICPXIMDIGF-MFIHZNLUSA-N,"InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9+,10+,11-,12-,13+,14+,15-,16+/m1/s1",C[C@@H]1CC[C@]2(O)C(C=O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12,C16H24O9,pos_1_1potassium,360.142032348,QCCRICPXIMDIGF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago psyllium,989026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago afra'],6,0,6.0
9639,1300,-1,,,,0.0,MS1_match,DRWIVSAUXCDFQK-UHFFFAOYSA-N,"InChI=1S/C15H23ClO10/c1-14(22)9-13(24-3-2-15(9,23)11(21)10(14)16)26-12-8(20)7(19)6(18)5(4-17)25-12/h2-3,5-13,17-23H,4H2,1H3",CC1(O)C(Cl)C(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C12,C15H23ClO10,pos_1_1proton,398.097974616,DRWIVSAUXCDFQK,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Cymbalaria muralis,75202.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Cymbalaria'],['Cymbalaria muralis'],6,0,6.0
9640,1299,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,YOJQZPVUNUQTDF-UHFFFAOYSA-N,"InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3",CN1CCc2cc3c(cc2C1O)OCO3,C11H13NO3,pos_1_1proton1acetonitrile,207.089543276,YOJQZPVUNUQTDF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,0,6.0
9641,1299,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,YOJQZPVUNUQTDF-UHFFFAOYSA-N,"InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3",CN1CCc2cc3c(cc2C1O)OCO3,C11H13NO3,pos_1_1proton1acetonitrile,207.089543276,YOJQZPVUNUQTDF,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,0,6.0
9642,1299,74,Amino acids and Peptides,Small peptides,Aminoacids,0.0,MS1_match,MNVNOIJYEHDVOO-QFIPXVFZSA-N,"InChI=1S/C22H26N2O6/c1-24(2)8-7-13-9-17-18(30-12-29-17)10-14(13)11-22(26)15-5-6-16(27-3)20(28-4)19(15)21(25)23-22/h5-6,9-10,26H,7-8,11-12H2,1-4H3,(H,23,25)/t22-/m0/s1",COc1ccc2c(c1OC)C(=O)N[C@]2(O)Cc1cc2c(cc1CCN(C)C)OCO2,C22H26N2O6,pos_2_2proton2acetonitrile,414.179086552,MNVNOIJYEHDVOO,Alkaloids,Tyrosine alkaloids,Aporphine alkaloids,Corydalis longipes,5727978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis longipes'],6,0,6.0
9643,1294,546,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6167843,ISDB,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,10.967137098312378
9644,1291,662,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,XMOCLSLCDHWDHP-DOMZBBRYSA-N,"InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1",Oc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2,C15H14O7,pos_1_1proton1ammonium,306.073952788,XMOCLSLCDHWDHP,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Euphorbia bupleuroides,3912649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia bupleuroides'],7,0,7.0
9645,1291,662,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,SBZWTSHAFILOTE-UHFFFAOYSA-N,"InChI=1S/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H",Oc1cc(O)c2c(c1)OC(c1ccc(O)c(O)c1)C(O)C2O,C15H14O7,pos_1_1proton1ammonium,306.073952788,SBZWTSHAFILOTE,Shikimates and Phenylpropanoids,Flavonoids,Flavandiols (Leucoanthocyanidins),Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
9646,1291,662,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,MFDIRQZUSKKMNW-HOCLYGCPSA-N,"InChI=1S/C19H20O3/c1-9-7-11-10(8-13(9)22-4)14-15-12(20)5-6-19(2,3)17(15)16(14)18(11)21/h7-8,14,16H,5-6H2,1-4H3/t14-,16-/m0/s1",COc1cc2c(cc1C)C(=O)[C@@H]1C3=C(C(=O)CCC3(C)C)[C@H]21,C19H20O3,pos_2MFe,296.1412445,MFDIRQZUSKKMNW,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Cnidoscolus quercifolius,3914591.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Manihoteae'],['Cnidoscolus'],['Cnidoscolus quercifolius'],6,2,7.0
9647,1290,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.26745653,ISDB,SOECUQMRSRVZQQ-UHFFFAOYSA-N,"InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3",COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O,C14H18O4,,250.120509056,SOECUQMRSRVZQQ,Terpenoids,Meroterpenoids,Prenyl quinone meroterpenoids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,9.569826126098633
9648,1286,187,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1proton1ammonium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
9649,1286,187,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,0.0,MS1_match,GJQWCDSAOUMKSE-STHAYSLISA-N,"InChI=1S/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)/t2-,3+/m0/s1",O=C(O)C(=O)C(=O)[C@H](O)[C@@H](O)CO,C6H8O7,pos_1_1proton1ammonium,192.027002596,GJQWCDSAOUMKSE,Fatty acids,Fatty Acids and Conjugates,Oxo fatty acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,2,10.0
9650,1285,662,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,OPQAEQYPBHCNDV-SIOVGDGMSA-N,"InChI=1S/C32H44O13/c1-16-12-13-30(9,10)25(41-19(4)34)14-24(40-18(3)33)17(2)27(42-20(5)35)26-29(43-21(6)36)31(11,44-22(7)37)15-32(26,28(16)39)45-23(8)38/h12-13,16,24-27,29H,2,14-15H2,1,3-11H3/b13-12+/t16-,24-,25-,26+,27+,29-,31-,32-/m1/s1",C=C1[C@H](OC(C)=O)C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O,C32H44O13,pos_2_1proton1potassium,636.2781914679998,OPQAEQYPBHCNDV,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],7,3,8.5
9651,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,8.5
9652,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9653,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9654,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,3,8.5
9655,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9656,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,GYFFKZTYYAFCTR-AVXJPILUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,GYFFKZTYYAFCTR,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9657,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,3,8.5
9658,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-NXLLHMKUSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14+,16-/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,3,8.5
9659,1284,1105,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1potassium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,3,8.5
9660,1282,-1,,,,0.32631025,ISDB,XLHGECRFSYAHQI-LEYCRWIUSA-N,"InChI=1S/C27H22O15/c28-11-6-14(31)19-18(7-11)40-23(9-1-2-12(29)13(30)3-9)24(22(19)37)42-27-25(21(36)17(34)8-39-27)41-26(38)10-4-15(32)20(35)16(33)5-10/h1-7,17,21,25,27-36H,8H2/t17-,21-,25+,27-/m0/s1",O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C27H22O15,,586.095870004,XLHGECRFSYAHQI,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,0,8.305240988731384
9661,1280,-1,,,,0.7488061,ISDB,HHZKKFXQEIBVEV-CXXUKANQSA-N,"InChI=1S/C18H30O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h7,10,13-14,16-17H,2-6,8-9,11-12,15H2,1H3,(H,19,20)/b10-7-,16-13+,17-14+",CCCCC/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H30O3,,294.21949482,HHZKKFXQEIBVEV,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.995224475860596
9662,1279,968,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,UIEULHLNJMJHQZ-BVCMDOFXSA-N,"InChI=1S/C24H32O8/c1-12-19(29-13(2)25)20(30-14(3)26)22(4)17(6-7-18-23(22,5)32-18)24(12)10-16(31-21(24)27)15-8-9-28-11-15/h8-9,11-12,16-21,27H,6-7,10H2,1-5H3/t12-,16-,17+,18-,19+,20+,21+,22+,23-,24-/m1/s1",CC(=O)O[C@H]1[C@@H](C)[C@]2(C[C@H](c3ccoc3)O[C@@H]2O)[C@H]2CC[C@H]3O[C@@]3(C)[C@]2(C)[C@H]1OC(C)=O,C24H32O8,pos_2MFe,448.20971798399984,UIEULHLNJMJHQZ,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,3,7.5
9663,1277,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.81871164,ISDB,WHFHDVDXYKOSKI-UHFFFAOYSA-N,"InChI=1S/C10H12/c1-3-9-5-7-10(4-2)8-6-9/h3,5-8H,1,4H2,2H3",C=Cc1ccc(CC)cc1,C10H12,,132.093900384,WHFHDVDXYKOSKI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Magnolia kobus,664531.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Magnoliaceae'],['Unknown'],['Magnolia'],['Magnolia kobus'],1,3,5.77484655380249
9664,1276,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48314553,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Globularia alypum,5921385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia alypum'],6,1,8.432582139968872
9665,1276,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48314553,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,1,8.432582139968872
9666,1276,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.48314553,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,8.432582139968872
9667,1271,-1,,,,0.0,MS1_match,KZIADLALQLRZIQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3",CC1=C2C=C3CCC4C(C)(C)C(O)CCC4(C)C3CC2OC1=O,C20H28O3,pos_1_1proton1ethylamine,316.203844756,KZIADLALQLRZIQ,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
9668,1267,-1,,,,0.0,MS1_match,DUKXKHCYGRDGCW-LKJLYNOCSA-N,"InChI=1S/C17H24O5/c1-8-7-12(21-10(3)18)15(19)17(4)6-5-11-9(2)16(20)22-14(11)13(8)17/h9,11-15,19H,1,5-7H2,2-4H3/t9-,11+,12-,13+,14-,15+,17+/m0/s1",C=C1C[C@H](OC(C)=O)[C@@H](O)[C@]2(C)CC[C@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12,C17H24O5,pos_1_1proton1ethylamine,308.162373868,DUKXKHCYGRDGCW,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
9669,1267,-1,,,,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1proton1ethylamine,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,0,7.0
9670,1267,-1,,,,0.0,MS1_match,IHVPTRBJWKUCFE-QBCQSLFDSA-N,"InChI=1S/C19H28O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-16,21-24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,16-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@]12O,C19H28O5,pos_1_1proton1ammonium,336.193673996,IHVPTRBJWKUCFE,Terpenoids,Steroids,Ecdysteroids,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
9671,1267,-1,,,,0.0,MS1_match,IHVPTRBJWKUCFE-QBCQSLFDSA-N,"InChI=1S/C19H28O5/c1-17-9-15(22)14(21)8-12(17)13(20)7-11-10(17)3-5-18(2)16(23)4-6-19(11,18)24/h7,10,12,14-16,21-24H,3-6,8-9H2,1-2H3/t10-,12-,14+,15-,16-,17+,18+,19+/m0/s1",C[C@]12C[C@H](O)[C@H](O)C[C@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@]12O,C19H28O5,pos_1_1proton1ammonium,336.193673996,IHVPTRBJWKUCFE,Terpenoids,Steroids,Ecdysteroids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
9672,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9673,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,GJRZFQZDUHIPAV-UHFFFAOYSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)66-33-32-30-18(7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)64-30)4-16(45)26(50)29(21)53)63-39(33)67-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)65-32)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2",O=C1OC2OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O)C3(O)O4)C2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,GJRZFQZDUHIPAV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9674,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WFWNGSCCGYXKPV-VIUILRJOSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(36(56)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23-,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@@H](O3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]3C1=CC(=O)C(O)(O)[C@@]3(O)O4)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,WFWNGSCCGYXKPV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9675,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WTKZYPVTAXZSEM-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)[C@]2(O)O3,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,WTKZYPVTAXZSEM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9676,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WTKZYPVTAXZSEM-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)[C@]2(O)O3,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,WTKZYPVTAXZSEM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9677,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,KTMJANHHXHZLEU-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-36(56)11-5-17(46)27(51)31-22(11)23-12(38(58)64-30)6-19(47)40(59,60)41(23,61)68-31/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)C(O)(O)[C@]3(O)O4)[C@@H]1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]2O1,C41H28O27,pos_1_1proton1ammonium,952.081795636,KTMJANHHXHZLEU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9678,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9679,1266,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LZWBAZIQHWROOC-UHFFFAOYSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(36(56)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2",O=C1OC2C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OCC(O3)C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O4)C3(O)O)C2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,LZWBAZIQHWROOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
9680,1265,124,Fatty acids,Fatty amides,Primary amides,0.6573336,ISDB,FIXZYWKWWCBXRZ-GJZGRUSLSA-N,"InChI=1S/C15H31N/c1-3-5-7-8-9-11-15-13-12-14(16-15)10-6-4-2/h14-16H,3-13H2,1-2H3/t14-,15-/m0/s1",CCCCCCC[C@H]1CC[C@H](CCCC)N1,C15H31N,,225.245649992,FIXZYWKWWCBXRZ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Megalomyrmex foreli,3257394.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Formicidae'],['Solenopsidini'],['Megalomyrmex'],['Megalomyrmex foreli'],2,0,4.629334449768066
9681,1264,-1,,,,0.0,MS1_match,PXABCNYYUFHVMN-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-10-7-11(20)15-12(8-10)27-18(19(26-4)17(15)22)9-5-13(24-2)16(21)14(6-9)25-3/h5-8,20-21H,1-4H3",COc1cc(O)c2c(=O)c(OC)c(-c3cc(OC)c(O)c(OC)c3)oc2c1,C19H18O8,pos_1_1sodium1acetonitrile,374.1001675359999,PXABCNYYUFHVMN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum pubescens,47884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum pubescens'],8,0,8.0
9682,1264,-1,,,,0.0,MS1_match,TUEHVMYACGCKDL-UHFFFAOYSA-N,"InChI=1S/C19H18O8/c1-23-12-6-5-9(7-10(12)20)16-19(26-4)15(22)14-11(21)8-13(24-2)17(25-3)18(14)27-16/h5-8,20-21H,1-4H3",COc1ccc(-c2oc3c(OC)c(OC)cc(O)c3c(=O)c2OC)cc1O,C19H18O8,pos_1_1sodium1acetonitrile,374.100167536,TUEHVMYACGCKDL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum paludosum,766363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum paludosum'],8,0,8.0
9683,1264,-1,,,,0.0,MS1_match,DUISZFLWBAPRBR-UHFFFAOYSA-N,"InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)",CC(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,C15H22N5O7P,pos_1_1sodium,415.12568467399984,DUISZFLWBAPRBR,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9684,1264,-1,,,,0.0,MS1_match,DUISZFLWBAPRBR-UHFFFAOYSA-N,"InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)",CC(C)=CCNc1ncnc2c1ncn2C1OC(COP(=O)(O)O)C(O)C1O,C15H22N5O7P,pos_1_1sodium,415.12568467399984,DUISZFLWBAPRBR,Alkaloids,Pseudoalkaloids,Purine alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9685,1261,177,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BHWJAJREPXENPW-GUDQYKIVSA-N,"InChI=1S/C42H50O15/c1-21(2)42(57-37(49)29-18-14-11-15-19-29)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(55-27(8)46)39(9,56-36(48)28-16-12-10-13-17-28)34(53-25(6)44)31(40)35(42)54-26(7)45/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1",C=C(C)[C@@]1(OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]3(O)[C@@H](C[C@H](C)[C@@H]3OC(C)=O)[C@@]2(O)[C@H](C)[C@@H]1O,C42H50O15,pos_2_2proton,794.3149709,BHWJAJREPXENPW,Terpenoids,Diterpenoids,Taxane diterpenoids,Trigonostemon longifolius,3914717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon longifolius'],6,3,7.5
9686,1261,177,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BHWJAJREPXENPW-GUDQYKIVSA-N,"InChI=1S/C42H50O15/c1-21(2)42(57-37(49)29-18-14-11-15-19-29)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(55-27(8)46)39(9,56-36(48)28-16-12-10-13-17-28)34(53-25(6)44)31(40)35(42)54-26(7)45/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1",C=C(C)[C@@]1(OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]3(O)[C@@H](C[C@H](C)[C@@H]3OC(C)=O)[C@@]2(O)[C@H](C)[C@@H]1O,C42H50O15,pos_2_2proton,794.3149709,BHWJAJREPXENPW,Terpenoids,Diterpenoids,Taxane diterpenoids,Trigonostemon heteranthus,3914717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon longifolius'],6,3,7.5
9687,1261,177,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,BHWJAJREPXENPW-GUDQYKIVSA-N,"InChI=1S/C42H50O15/c1-21(2)42(57-37(49)29-18-14-11-15-19-29)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(55-27(8)46)39(9,56-36(48)28-16-12-10-13-17-28)34(53-25(6)44)31(40)35(42)54-26(7)45/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1",C=C(C)[C@@]1(OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]3(O)[C@@H](C[C@H](C)[C@@H]3OC(C)=O)[C@@]2(O)[C@H](C)[C@@H]1O,C42H50O15,pos_2_2proton,794.3149709,BHWJAJREPXENPW,Terpenoids,Diterpenoids,Taxane diterpenoids,Trigonostemon howii,3914645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon howii'],6,3,7.5
9688,1261,177,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MCELGDBIZYAJFT-GUDQYKIVSA-N,"InChI=1S/C42H50O15/c1-21(2)42(56-27(8)46)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(54-26(7)45)39(9,57-37(49)29-18-14-11-15-19-29)34(53-25(6)44)31(40)35(42)55-36(48)28-16-12-10-13-17-28/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1",C=C(C)[C@@]1(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]3(O)[C@@H](C[C@H](C)[C@@H]3OC(C)=O)[C@@]2(O)[C@H](C)[C@@H]1O,C42H50O15,pos_2_2proton,794.3149709,MCELGDBIZYAJFT,Terpenoids,Diterpenoids,Taxane diterpenoids,Trigonostemon longifolius,3914717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon longifolius'],6,3,7.5
9689,1261,177,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MCELGDBIZYAJFT-GUDQYKIVSA-N,"InChI=1S/C42H50O15/c1-21(2)42(56-27(8)46)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(54-26(7)45)39(9,57-37(49)29-18-14-11-15-19-29)34(53-25(6)44)31(40)35(42)55-36(48)28-16-12-10-13-17-28/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1",C=C(C)[C@@]1(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]3(O)[C@@H](C[C@H](C)[C@@H]3OC(C)=O)[C@@]2(O)[C@H](C)[C@@H]1O,C42H50O15,pos_2_2proton,794.3149709,MCELGDBIZYAJFT,Terpenoids,Diterpenoids,Taxane diterpenoids,Trigonostemon heteranthus,3914717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon longifolius'],6,3,7.5
9690,1261,177,Terpenoids,Diterpenoids,Taxane diterpenoids,0.0,MS1_match,MCELGDBIZYAJFT-GUDQYKIVSA-N,"InChI=1S/C42H50O15/c1-21(2)42(56-27(8)46)32(47)23(4)40(50)30-20-22(3)33(52-24(5)43)41(30,51)38(54-26(7)45)39(9,57-37(49)29-18-14-11-15-19-29)34(53-25(6)44)31(40)35(42)55-36(48)28-16-12-10-13-17-28/h10-19,22-23,30-35,38,47,50-51H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41+,42-/m0/s1",C=C(C)[C@@]1(OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]3(O)[C@@H](C[C@H](C)[C@@H]3OC(C)=O)[C@@]2(O)[C@H](C)[C@@H]1O,C42H50O15,pos_2_2proton,794.3149709,MCELGDBIZYAJFT,Terpenoids,Diterpenoids,Taxane diterpenoids,Trigonostemon howii,3914645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon howii'],6,3,7.5
9691,1257,-1,,,,0.0,MS1_match,DQMPCOCRFCCCNZ-UHFFFAOYSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24-25,27-28,36H,16-17H2,1-7H3",CC(=O)OC1CC(=O)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2C=C1C,C31H40O8,pos_1_1proton1ethylamine,540.27231824,DQMPCOCRFCCCNZ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9692,1257,-1,,,,0.0,MS1_match,OQLAYVOSMBSWSF-FOFWAKMFSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24-25,27-28,34H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24+,25-,27+,28-,31-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C31H40O8,pos_1_1proton1ethylamine,540.27231824,OQLAYVOSMBSWSF,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9693,1257,-1,,,,0.0,MS1_match,RHPFLGFCKKCWKG-UHFFFAOYSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,28(18)35)39-22(5)33/h8-15,18,20,24-25,27-28,35H,16-17H2,1-7H3",CC(=O)OC1CC(=O)C(C)(C)C=CC(C)C(O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C2C=C1C,C31H40O8,pos_1_1proton1ethylamine,540.27231824,RHPFLGFCKKCWKG,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9694,1257,-1,,,,0.0,MS1_match,GITCJXFZRWGKLJ-GWXNUTEUSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(34)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24,26-28,36H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24-,26+,27-,28-,31+/m0/s1",CC(=O)O[C@@H]1CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C,C31H40O8,pos_1_1proton1ethylamine,540.27231824,GITCJXFZRWGKLJ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9695,1257,-1,,,,0.0,MS1_match,YUDUPXHLRNLYOP-IVRZHYJISA-N,"InChI=1S/C31H40O8/c1-18-13-14-24(34)30(6,7)16-15-19(2)28(38-22(5)33)31(36)17-20(3)27(25(31)26(18)37-21(4)32)39-29(35)23-11-9-8-10-12-23/h8-12,15-16,19-20,25-28,36H,1,13-14,17H2,2-7H3/b16-15+/t19-,20+,25+,26+,27+,28-,31-/m1/s1",C=C1CCC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C31H40O8,pos_1_1proton1ethylamine,540.27231824,YUDUPXHLRNLYOP,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],7,0,7.0
9696,1257,-1,,,,0.0,MS1_match,UAKCWZDVHJZVRU-DFICWMDASA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(39-29(35)23-11-9-8-10-12-23)19(2)15-24-27(38-22(5)33)20(3)17-31(24,36)28(18)34/h8-13,15,20,24-27,36H,14,16-17H2,1-7H3/b18-13+,19-15+/t20-,24-,25+,26+,27-,31+/m0/s1",CC(=O)O[C@H]1[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)C[C@@H](OC(=O)c3ccccc3)/C(C)=C/[C@@H]12,C31H40O8,pos_1_1proton1ethylamine,540.27231824,UAKCWZDVHJZVRU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hirsuta,634791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirsuta'],7,0,7.0
9697,1257,-1,,,,0.0,MS1_match,BIHYSDGGBHNKEB-UHFFFAOYSA-N,"InChI=1S/C33H44O8/c1-8-10-11-12-13-14-27(36)40-30-20(4)32(38)24-15-19(3)28(37)23(24)16-22(18-39-21(5)34)17-25(32)29-31(6,7)33(29,30)41-26(35)9-2/h11-15,17,20,23-25,29-30,38H,8-10,16,18H2,1-7H3",CCCC=CC=CC(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3CC(COC(C)=O)=CC2C2C(C)(C)C12OC(=O)CC,C33H44O8,pos_1_1proton1ammonium,568.303618368,BIHYSDGGBHNKEB,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia burmanni,332447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia burmannii'],7,0,7.0
9698,1257,-1,,,,0.0,MS1_match,BIHYSDGGBHNKEB-QPVQQSQOSA-N,"InChI=1S/C33H44O8/c1-8-10-11-12-13-14-27(36)40-30-20(4)32(38)24-15-19(3)28(37)23(24)16-22(18-39-21(5)34)17-25(32)29-31(6,7)33(29,30)41-26(35)9-2/h11-15,17,20,23-25,29-30,38H,8-10,16,18H2,1-7H3/b12-11+,14-13-/t20-,23-,24+,25+,29-,30-,32+,33+/m0/s1",CCC/C=C/C=C\C(=O)O[C@H]1[C@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(COC(C)=O)=C[C@@H]2[C@H]2C(C)(C)[C@]12OC(=O)CC,C33H44O8,pos_1_1proton1ammonium,568.303618368,BIHYSDGGBHNKEB,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
9699,1257,-1,,,,0.0,MS1_match,BIHYSDGGBHNKEB-QPVQQSQOSA-N,"InChI=1S/C33H44O8/c1-8-10-11-12-13-14-27(36)40-30-20(4)32(38)24-15-19(3)28(37)23(24)16-22(18-39-21(5)34)17-25(32)29-31(6,7)33(29,30)41-26(35)9-2/h11-15,17,20,23-25,29-30,38H,8-10,16,18H2,1-7H3/b12-11+,14-13-/t20-,23-,24+,25+,29-,30-,32+,33+/m0/s1",CCC/C=C/C=C\C(=O)O[C@H]1[C@H](C)[C@@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(COC(C)=O)=C[C@@H]2[C@H]2C(C)(C)[C@]12OC(=O)CC,C33H44O8,pos_1_1proton1ammonium,568.303618368,BIHYSDGGBHNKEB,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia rigida,535724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia rigida'],7,0,7.0
9700,1254,771,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,AVOFQNQPEDOPQI-NUVWHZTDSA-N,"InChI=1S/C16H20O10/c1-25-11-6-8(2-4-9(11)18)3-5-12(20)26-15(16(23)24)14(22)13(21)10(19)7-17/h2-6,10,13-15,17-19,21-22H,7H2,1H3,(H,23,24)/b5-3-/t10-,13-,14+,15-/m1/s1",COc1cc(/C=C\C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O10,pos_1_1proton,372.10564684,AVOFQNQPEDOPQI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],7,3,8.5
9701,1251,-1,,,,0.6251331,ISDB,HNICUWMFWZBIFP-IRQZEAMPSA-N,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,HNICUWMFWZBIFP,Fatty acids,Octadecanoids,Other Octadecanoids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,0,4.500532388687134
9702,1251,-1,,,,0.6251331,ISDB,HNICUWMFWZBIFP-IRQZEAMPSA-N,"InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1",CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,HNICUWMFWZBIFP,Fatty acids,Octadecanoids,Other Octadecanoids,Semibalanus balanoides,374192.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Hexanauplia'],['Sessilia'],['Archaeobalanidae'],['Unknown'],['Semibalanus'],['Semibalanus balanoides'],2,0,4.500532388687134
9703,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-OFKRMOSHSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8-,10+,11-,12+,13-,15+,16+,17-/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,3,7.5
9704,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JTIRVAMILJQVBT-GSVAQQCBSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,9-14,16-19,21-23H,2-4H2,1H3/t6-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@H]12,C17H24O11,pos_1_1proton1ethylamine,404.131861588,JTIRVAMILJQVBT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,3,7.5
9705,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JTIRVAMILJQVBT-GSVAQQCBSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,9-14,16-19,21-23H,2-4H2,1H3/t6-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@H]12,C17H24O11,pos_1_1proton1ethylamine,404.131861588,JTIRVAMILJQVBT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon grandiflorus,323784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon grandiflorus'],6,3,7.5
9706,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,JTIRVAMILJQVBT-XJSNKYLASA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,9-14,16-19,21-23H,2-4H2,1H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](CO)CC(=O)[C@H]12,C17H24O11,pos_1_1proton1ethylamine,404.131861588,JTIRVAMILJQVBT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,3,7.5
9707,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WSGPLSDARZNMCW-FCVLBCLDSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12,C17H24O11,pos_1_1proton1ethylamine,404.1318615879999,WSGPLSDARZNMCW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,3,7.5
9708,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WSGPLSDARZNMCW-FCVLBCLDSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12,C17H24O11,pos_1_1proton1ethylamine,404.1318615879999,WSGPLSDARZNMCW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,3,7.5
9709,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IWDXNCIWSRAIAR-OCGKWZSUSA-N,"InChI=1S/C17H24O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-6,9-10,12-14,16-23H,2-4H2,1H3/t6-,9+,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)[C@@H](O)C[C@H]12,C17H24O11,pos_1_1proton1ethylamine,404.131861588,IWDXNCIWSRAIAR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago cornuti,217285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago cornuti'],6,3,7.5
9710,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,IWDXNCIWSRAIAR-OCGKWZSUSA-N,"InChI=1S/C17H24O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-6,9-10,12-14,16-23H,2-4H2,1H3/t6-,9+,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)[C@@H](O)C[C@H]12,C17H24O11,pos_1_1proton1ethylamine,404.131861588,IWDXNCIWSRAIAR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,3,7.5
9711,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BRXLHMIHJHNCQI-PDNMSMPNSA-N,"InChI=1S/C17H24O11/c1-6(19)25-13-12-16(2,28-12)11-15(24-4-3-17(11,13)23)27-14-10(22)9(21)8(20)7(5-18)26-14/h3-4,7-15,18,20-23H,5H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,14+,15+,16-,17+/m1/s1",CC(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,BRXLHMIHJHNCQI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nanorrhinum asparagoides,7053888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Nanorrhinum'],['Nanorrhinum asparagoides'],6,3,7.5
9712,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WUZGENDUAYSYJW-OONZBJFNSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h3,5,8-13,15-16,18-22,24H,4H2,1-2H3/t8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C)=C[C@H](O)[C@@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,WUZGENDUAYSYJW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,3,7.5
9713,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-DGQPLNRKSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13-,15+,16+,17+/m0/s1",COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon grandiflorus,323784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon grandiflorus'],6,3,7.5
9714,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-CZMSZWGTSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,3,7.5
9715,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-UHFFFAOYSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12O,C17H24O11,pos_1_1proton1ethylamine,404.1318615879998,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,3,7.5
9716,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-OFKRMOSHSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8-,10+,11-,12+,13-,15+,16+,17-/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,3,7.5
9717,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-DGQPLNRKSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13-,15+,16+,17+/m0/s1",COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon grandiflorus,323784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon grandiflorus'],6,3,7.5
9718,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-CZMSZWGTSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,3,7.5
9719,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PRZVXHGUJJPSME-UHFFFAOYSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12O,C17H24O11,pos_1_1proton1ethylamine,404.1318615879998,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,3,7.5
9720,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,WUZGENDUAYSYJW-OONZBJFNSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h3,5,8-13,15-16,18-22,24H,4H2,1-2H3/t8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C)=C[C@H](O)[C@@]12O,C17H24O11,pos_1_1proton1ethylamine,404.131861588,WUZGENDUAYSYJW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,3,7.5
9721,1249,595,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,KYTISVZGNSQNDO-HPNPIHRUSA-N,"InChI=1S/C17H24O11/c1-7(19)26-6-8-4-10(20)17(24)2-3-25-15(11(8)17)28-16-14(23)13(22)12(21)9(5-18)27-16/h2-4,9-16,18,20-24H,5-6H2,1H3/t9-,10+,11+,12-,13+,14-,15-,16+,17+/m0/s1",CC(=O)OCC1=C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12,C17H24O11,pos_1_1proton1ethylamine,404.1318615879998,KYTISVZGNSQNDO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago media,989039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago media'],6,3,7.5
9722,1247,-1,,,,0.0,MS1_match,LPGWQGDUKIPAME-IQTAGMQYSA-N,"InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+/t20-,22-,23+,24-,25-/m1/s1",O=C(/C=C/c1ccc(O)cc1)NCCc1c[nH]c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12,C25H28N2O8,pos_1_1proton1ammonium,484.184565856,LPGWQGDUKIPAME,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9723,1245,125,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,PADQINQHPQKXNL-GJZGRUSLSA-N,"InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15-/m0/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O,C15H12O6,pos_1_1proton,288.063388104,PADQINQHPQKXNL,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,2,8.0
9724,1241,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5194023,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.077609300613403
9725,1238,-1,,,,0.28323096,ISDB,INGJLBQKTRJLFO-UKJIMTQDSA-N,"InChI=1S/C16H29N3O6/c1-5-9(4)13(15(23)18-12(8(2)3)16(24)25)19-14(22)10(17)6-7-11(20)21/h8-10,12-13H,5-7,17H2,1-4H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,10-,12-,13-/m0/s1",CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(=O)O)C(C)C,C16H29N3O6,,359.205635648,INGJLBQKTRJLFO,Amino acids and Peptides,Small peptides,Tripeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,0,2.1329238414764404
9726,1237,415,Terpenoids,Diterpenoids,Xeniaphyllane diterpenoids,0.5574077,ISDB,DEVSVQNOYWLYHI-PPLBCVRQSA-N,"InChI=1S/C19H30O3/c1-12-6-9-17(21)13(2)5-8-16-15(12)11-19(16,4)18(22)10-7-14(3)20/h13-16,20H,1,5-11H2,2-4H3/t13-,14+,15-,16-,19-/m1/s1",C=C1CCC(=O)[C@H](C)CC[C@@H]2[C@@H]1C[C@@]2(C)C(=O)CC[C@H](C)O,C19H30O3,,306.21949482,DEVSVQNOYWLYHI,Terpenoids,Diterpenoids,Xeniaphyllane diterpenoids,Sinularia gibberosa,3679260.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Alcyoniidae'],['Unknown'],['Sinularia'],['Sinularia gibberosa'],2,3,5.729630708694458
9727,1234,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,HVBLJFJOQGJVJC-MJDYTUBYSA-N,"InChI=1S/C35H55NO8/c1-18-6-9-26(36-16-18)19(2)29-27(42-20(3)38)15-25-23-8-7-21-14-22(10-12-34(21,4)24(23)11-13-35(25,29)5)43-33-32(41)31(40)30(39)28(17-37)44-33/h7,18-19,22-25,27-33,37,39-41H,6,8-17H2,1-5H3/t18-,19+,22+,23-,24-,25+,27+,28+,29-,30+,31-,32+,33+,34-,35-/m0/s1",CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C1=NC[C@@H](C)CC1,C35H55NO8,pos_1_1proton,617.39276772,HVBLJFJOQGJVJC,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum havanense,261798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum havanense'],8,3,9.5
9728,1232,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,KTHADMDGDNYQRX-UHFFFAOYSA-N,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",COC(=O)Cc1c[nH]c2ccccc12,C11H11NO2,pos_1_1proton1methanol,189.078978592,KTHADMDGDNYQRX,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Ricinus communis,339346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Ricinus'],['Ricinus communis'],6,0,6.0
9729,1232,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton1isopropanol,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],6,0,6.0
9730,1232,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,LDLOCPJLLDCCGO-UHFFFAOYSA-N,"InChI=1S/C10H12O3/c1-8(11)13-7-6-9-2-4-10(12)5-3-9/h2-5,12H,6-7H2,1H3",CC(=O)OCCc1ccc(O)cc1,C10H12O3,pos_1_1proton1acetonitrile,180.078644244,LDLOCPJLLDCCGO,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],6,0,6.0
9731,1232,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,CDQGQFPAQVLTLZ-HNAYVOBHSA-N,"InChI=1S/C20H24O6/c1-24-17-6-5-13(10-18(17)25-2)19-15(11-22)14-8-12(4-3-7-21)9-16(23)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1",COc1ccc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)cc1OC,C20H24O6,pos_2_2proton2acetonitrile,360.15728848799995,CDQGQFPAQVLTLZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],6,0,6.0
9732,1232,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,CDQGQFPAQVLTLZ-HNAYVOBHSA-N,"InChI=1S/C20H24O6/c1-24-17-6-5-13(10-18(17)25-2)19-15(11-22)14-8-12(4-3-7-21)9-16(23)20(14)26-19/h5-6,8-10,15,19,21-23H,3-4,7,11H2,1-2H3/t15-,19+/m0/s1",COc1ccc([C@H]2Oc3c(O)cc(CCCO)cc3[C@@H]2CO)cc1OC,C20H24O6,pos_2_2proton2acetonitrile,360.15728848799995,CDQGQFPAQVLTLZ,Shikimates and Phenylpropanoids,Lignans,Neolignans,Croton lechleri,900868.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton lechleri'],6,0,6.0
9733,1232,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,ASNYCVAGBSOWNP-ZETCQYMHSA-N,"InChI=1S/C12H12O3/c1-6-3-9-8(5-7(2)11(9)13)10(4-6)12(14)15/h3-4,7H,5H2,1-2H3,(H,14,15)/t7-/m0/s1",Cc1cc(C(=O)O)c2c(c1)C(=O)[C@@H](C)C2,C12H12O3,pos_1_1proton1ammonium,204.078644244,ASNYCVAGBSOWNP,,,,Croton steenkampianus,1025277.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton steenkampianus'],6,0,6.0
9734,1232,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,IYCVYYJRNGVIDZ-UHFFFAOYSA-N,"InChI=1S/C12H12O3/c1-14-11-6-8-3-4-10(13)5-9(8)7-12(11)15-2/h3-4,6-7H,5H2,1-2H3",COc1cc2c(cc1OC)CC(=O)C=C2,C12H12O3,pos_1_1proton1ammonium,204.078644244,IYCVYYJRNGVIDZ,,,,Mallotus resinosus,188263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus resinosus'],6,0,6.0
9735,1227,517,Shikimates and Phenylpropanoids,Isoflavonoids,Pterocarpan,0.49457812,ISDB,ITENTBHADJNDDH-DJTMHQFBSA-N,"InChI=1S/C16H16O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,19,21,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14+,16-/m1/s1",O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O,C16H16O9,,352.079432092,ITENTBHADJNDDH,Shikimates and Phenylpropanoids,,,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],4,1,6.4783124923706055
9736,1226,-1,,,,0.35957226,ISDB,XYBWBOHZMFLRBQ-UHFFFAOYSA-N,"InChI=1S/C34H37N3O8/c38-27-11-4-24(5-12-27)8-15-32(43)36-19-3-21-37(34(45)17-10-26-7-14-29(40)31(42)23-26)20-2-1-18-35-33(44)16-9-25-6-13-28(39)30(41)22-25/h4-17,22-23,38-42H,1-3,18-21H2,(H,35,44)(H,36,43)",O=C(C=Cc1ccc(O)c(O)c1)NCCCCN(CCCNC(=O)C=Cc1ccc(O)cc1)C(=O)C=Cc1ccc(O)c(O)c1,C34H37N3O8,,615.258065144,XYBWBOHZMFLRBQ,Alkaloids,Ornithine alkaloids,Polyamines,Quercus dentata,429749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Fagaceae'],['Unknown'],['Quercus'],['Quercus dentata'],4,0,5.438289046287537
9737,1223,-1,,,,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_2MHCH3CN,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
9738,1221,-1,,,,0.0,MS1_match,IMQVWZKEFSFWCH-DYWIKMQHSA-N,"InChI=1S/C30H40O7/c1-9-15(3)26(33)36-14-28(8)21-12-19(7)29-13-18(6)25(37-27(34)16(4)10-2)30(29,35)23(31)17(5)11-20(22(21)28)24(29)32/h9-11,13,19-23,25,31,35H,12,14H2,1-8H3/b15-9-,16-10-/t19-,20+,21-,22+,23-,25+,28-,29+,30+/m1/s1",C/C=C(/C)C(=O)OC[C@@]1(C)[C@H]2[C@@H]3C=C(C)[C@@H](O)[C@]4(O)[C@@H](OC(=O)/C(C)=C\C)C(C)=C[C@@]4(C3=O)[C@H](C)C[C@H]21,C30H40O7,pos_1_1sodium,512.27740362,IMQVWZKEFSFWCH,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
9739,1221,-1,,,,0.0,MS1_match,JSMFPZQTMCUHQU-KYAGLTEYSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(27(19,3)4)24(35-7)29(28,6)26(30)34/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m1/s1",CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(C)=O)[C@H](C)C[C@]4(OC(=O)c4ccccc4)C(=O)[C@@]13C)C2(C)C,C30H40O7,pos_1_1sodium,512.27740362,JSMFPZQTMCUHQU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia villosa,731893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia villosa'],7,0,7.0
9740,1221,-1,,,,0.0,MS1_match,JSMFPZQTMCUHQU-KYAGLTEYSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(27(19,3)4)24(35-7)29(28,6)26(30)34/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m1/s1",CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(C)=O)[C@H](C)C[C@]4(OC(=O)c4ccccc4)C(=O)[C@@]13C)C2(C)C,C30H40O7,pos_1_1sodium,512.27740362,JSMFPZQTMCUHQU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia epithymoides,74837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia epithymoides'],7,0,7.0
9741,1221,-1,,,,0.0,MS1_match,JSMFPZQTMCUHQU-KYAGLTEYSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(27(19,3)4)24(35-7)29(28,6)26(30)34/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m1/s1",CO[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(C)=O)[C@H](C)C[C@]4(OC(=O)c4ccccc4)C(=O)[C@@]13C)C2(C)C,C30H40O7,pos_1_1sodium,512.27740362,JSMFPZQTMCUHQU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia illirica,978152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia illirica'],7,0,7.0
9742,1221,-1,,,,0.0,MS1_match,QZVBUOLOLHSACA-BIFCHGJCSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(29(28,6)26(30)34)24(35-7)27(19,3)4/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m0/s1",CO[C@H]1[C@H]2[C@@H](CC[C@]3(C)[C@@H](O)[C@@H]4[C@H](OC(C)=O)[C@@H](C)C[C@@]4(OC(=O)c4ccccc4)C(=O)[C@]23C)C1(C)C,C30H40O7,pos_1_1sodium,512.27740362,QZVBUOLOLHSACA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia villosa,731893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia villosa'],7,0,7.0
9743,1221,-1,,,,0.0,MS1_match,QZVBUOLOLHSACA-BIFCHGJCSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(29(28,6)26(30)34)24(35-7)27(19,3)4/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m0/s1",CO[C@H]1[C@H]2[C@@H](CC[C@]3(C)[C@@H](O)[C@@H]4[C@H](OC(C)=O)[C@@H](C)C[C@@]4(OC(=O)c4ccccc4)C(=O)[C@]23C)C1(C)C,C30H40O7,pos_1_1sodium,512.27740362,QZVBUOLOLHSACA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia epithymoides,74837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia epithymoides'],7,0,7.0
9744,1221,-1,,,,0.0,MS1_match,QZVBUOLOLHSACA-BIFCHGJCSA-N,"InChI=1S/C30H40O7/c1-16-15-30(37-25(33)18-11-9-8-10-12-18)21(22(16)36-17(2)31)23(32)28(5)14-13-19-20(29(28,6)26(30)34)24(35-7)27(19,3)4/h8-12,16,19-24,32H,13-15H2,1-7H3/t16-,19+,20+,21-,22+,23-,24-,28+,29-,30-/m0/s1",CO[C@H]1[C@H]2[C@@H](CC[C@]3(C)[C@@H](O)[C@@H]4[C@H](OC(C)=O)[C@@H](C)C[C@@]4(OC(=O)c4ccccc4)C(=O)[C@]23C)C1(C)C,C30H40O7,pos_1_1sodium,512.27740362,QZVBUOLOLHSACA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia illirica,978152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia illirica'],7,0,7.0
9745,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-MGZHOKCZSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.2774036199999,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,0,7.0
9746,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Pedilanthus,7635211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Pedilanthus'],['Unknown'],7,0,7.0
9747,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
9748,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-GTBZSHDQSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
9749,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-MGZHOKCZSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.2774036199999,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,0,7.0
9750,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Pedilanthus,7635211.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Pedilanthus'],['Unknown'],7,0,7.0
9751,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-LKQKEYJLSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22+,23+,26-,27-,29-,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H](C=C(CO)C[C@H]3C(=O)C(C)=C[C@@H]32)[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],7,0,7.0
9752,1221,-1,,,,0.0,MS1_match,ALKHEZOKTHCOBM-GTBZSHDQSA-N,"InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1",CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O,C30H40O7,pos_1_1sodium,512.27740362,ALKHEZOKTHCOBM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
9753,1221,-1,,,,0.0,MS1_match,IMQVWZKEFSFWCH-DYWIKMQHSA-N,"InChI=1S/C30H40O7/c1-9-15(3)26(33)36-14-28(8)21-12-19(7)29-13-18(6)25(37-27(34)16(4)10-2)30(29,35)23(31)17(5)11-20(22(21)28)24(29)32/h9-11,13,19-23,25,31,35H,12,14H2,1-8H3/b15-9-,16-10-/t19-,20+,21-,22+,23-,25+,28-,29+,30+/m1/s1",C/C=C(/C)C(=O)OC[C@@]1(C)[C@H]2[C@@H]3C=C(C)[C@@H](O)[C@]4(O)[C@@H](OC(=O)/C(C)=C\C)C(C)=C[C@@]4(C3=O)[C@H](C)C[C@H]21,C30H40O7,pos_1_1sodium,512.27740362,IMQVWZKEFSFWCH,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia segetalis,825700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia segetalis'],7,0,7.0
9754,1219,-1,,,,0.20533144,ISDB,IPAOSRZLXCPVNC-BKKYRAIMSA-N,"InChI=1S/C27H32O5/c1-14-11-18-20-19(25(20,4)5)12-16(3)26(22(18)29)13-15(2)23(27(26,31)21(14)28)32-24(30)17-9-7-6-8-10-17/h6-11,13,16,18-21,23,28,31H,12H2,1-5H3/t16-,18-,19-,20+,21-,23+,26+,27+/m1/s1",CC1=C[C@H]2C(=O)[C@]3(C=C(C)[C@H](OC(=O)c4ccccc4)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C27H32O5,,436.224974124,IPAOSRZLXCPVNC,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],8,0,8.821325778961182
9755,1216,-1,,,,0.0,MS1_match,RINHYCZCUGCZAJ-IPXOVKFZSA-N,"InChI=1S/C20H28O10/c21-12-9-28-19(17(25)14(12)22)29-10-13-15(23)16(24)18(26)20(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1",O[C@@H]1[C@@H](O)[C@H](OC/C=C/c2ccccc2)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,C20H28O10,pos_1_1proton1ethylamine,428.1682470959998,RINHYCZCUGCZAJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
9756,1216,-1,,,,0.0,MS1_match,RINHYCZCUGCZAJ-IPXOVKFZSA-N,"InChI=1S/C20H28O10/c21-12-9-28-19(17(25)14(12)22)29-10-13-15(23)16(24)18(26)20(30-13)27-8-4-7-11-5-2-1-3-6-11/h1-7,12-26H,8-10H2/b7-4+/t12-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1",O[C@@H]1[C@@H](O)[C@H](OC/C=C/c2ccccc2)O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]1O,C20H28O10,pos_1_1proton1ethylamine,428.1682470959998,RINHYCZCUGCZAJ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
9757,1213,-1,,,,0.0,MS1_match,BRVXVMOWTHQKHC-HIAHFQITSA-N,"InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+",CC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C,C33H44O9,pos_1_1sodium,584.2985329879998,BRVXVMOWTHQKHC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
9758,1212,206,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,0.0,MS1_match,VGEREEWJJVICBM-UHFFFAOYSA-N,"InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2",O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O,C15H14O5,pos_1_1proton2acetonitrile,274.084123548,VGEREEWJJVICBM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,2,7.0
9759,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,HCNLDGTUMBOHKT-NRFANRHFSA-N,"InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1",CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,HCNLDGTUMBOHKT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga conifera,103732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga conifera'],6,2,7.0
9760,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,HCNLDGTUMBOHKT-NRFANRHFSA-N,"InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1",CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,HCNLDGTUMBOHKT,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga conifera,103732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga conifera'],6,2,7.0
9761,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,BMIMEYWWZBBDCM-QHCPKHFHSA-N,"InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)23-13-22(29)24-21(28)12-20(27)18(25(24)30-23)9-6-15(3)4/h5-6,8,10-12,23,26-28H,7,9,13H2,1-4H3/t23-/m0/s1",CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.1936739959999,BMIMEYWWZBBDCM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9762,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,BMIMEYWWZBBDCM-QHCPKHFHSA-N,"InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)23-13-22(29)24-21(28)12-20(27)18(25(24)30-23)9-6-15(3)4/h5-6,8,10-12,23,26-28H,7,9,13H2,1-4H3/t23-/m0/s1",CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.1936739959999,BMIMEYWWZBBDCM,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9763,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,WNEAAJKGMLICIY-QFIPXVFZSA-N,"InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-12,22,26-27,29H,7,9,13H2,1-4H3/t22-/m0/s1",CC(C)=CCc1cc([C@@H]2CC(=O)c3c(cc(O)c(CC=C(C)C)c3O)O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.1936739959999,WNEAAJKGMLICIY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9764,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,QEXZVESBFWVISP-YLLUOSTHSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-13,23,26-28H,4,6,8,14H2,1-3H3/b16-7+/t23-/m0/s1",CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.193673996,QEXZVESBFWVISP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9765,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,QEXZVESBFWVISP-YLLUOSTHSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-8-17-11-18(9-10-20(17)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h5,7,9-13,23,26-28H,4,6,8,14H2,1-3H3/b16-7+/t23-/m0/s1",CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.193673996,QEXZVESBFWVISP,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9766,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,XYIQIBWIEGCVQY-QFIPXVFZSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/t22-/m0/s1",CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.193673996,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga alnifolia,864424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga alnifolia'],6,2,7.0
9767,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,XYIQIBWIEGCVQY-RWHUQTJRSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1",CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9768,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,XYIQIBWIEGCVQY-QFIPXVFZSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/t22-/m0/s1",CC(C)=CCCC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.193673996,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga alnifolia,864424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga alnifolia'],6,2,7.0
9769,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,XYIQIBWIEGCVQY-RWHUQTJRSA-N,"InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1",CC(C)=CCC/C(C)=C/Cc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2,C25H28O5,pos_1_1proton1dmso,408.1936739959999,XYIQIBWIEGCVQY,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9770,1210,47,Shikimates and Phenylpropanoids,Flavonoids,Elemane sesquiterpenoids,0.0,MS1_match,BYNSAEDEZFVSHZ-MVLVPLOLSA-N,"InChI=1S/C25H28O5/c1-15(2)6-4-5-7-16(3)10-18-11-17(8-9-20(18)27)23-14-22(29)25-21(28)12-19(26)13-24(25)30-23/h6,8-13,23,26-28H,4-5,7,14H2,1-3H3/b16-10+/t23-/m0/s1",CC(C)=CCCC/C(C)=C/c1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)ccc1O,C25H28O5,pos_1_1proton1dmso,408.193673996,BYNSAEDEZFVSHZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Macaranga pleiostemon,3911135.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga pleiostemon'],6,2,7.0
9771,1209,-1,,,,0.21768591,ISDB,HSOCGXNUHYEJGJ-LWDXLBHQSA-N,"InChI=1S/C13H15NO2/c1-2-8-6-9-10(7-8)13(16)14-5-3-4-11(14)12(9)15/h2-5,9-10,12,15H,6-7H2,1H3/b8-2+/t9?,10?,12-/m1/s1",C/C=C1/CC2C(=O)n3cccc3[C@H](O)C2C1,C13H15NO2,,217.11027872,HSOCGXNUHYEJGJ,Alkaloids,Lysine alkaloids,,Streptomyces,772892.0,['Bacteria'],['Unknown'],['Actinobacteria'],['Unknown'],['Streptomycetales'],['Streptomycetaceae'],['Unknown'],['Streptomyces'],['Unknown'],0,0,0.8707436323165894
9772,1208,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ILRDZGBYVMMKQQ-ZFUOIMJCSA-N,"InChI=1S/C17H24O5/c1-9-4-5-13-14(9)15-12(10(2)16(19)22-15)6-7-17(13,20)8-21-11(3)18/h10,12-15,20H,1,4-8H2,2-3H3/t10-,12+,13-,14+,15+,17-/m1/s1",C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@]2(O)COC(C)=O,C17H24O5,pos_1_1proton,308.162373868,ILRDZGBYVMMKQQ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
9773,1203,892,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.5960621,ISDB,,,,,,,SVFKZPQPMMZHLZ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3842484951019287
9774,1200,610,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.76790696,ISDB,APXSAEQXOXTDAM-UHFFFAOYSA-N,"InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6H,2-4,7-14H2,1H3,(H,16,17)",CCCCC=CCCCCCCCCC(=O)O,C15H28O2,,240.208930136,APXSAEQXOXTDAM,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pyrococcus furiosus,1043510.0,['Archaea'],['Unknown'],['Euryarchaeota'],['Thermococci'],['Thermococcales'],['Thermococcaceae'],['Unknown'],['Pyrococcus'],['Pyrococcus furiosus'],0,3,4.571627855300903
9775,1197,165,Shikimates and Phenylpropanoids,Coumarins,Isocoumarins,0.0,MS1_match,XONDRGRALZTVKD-ZMIZWQJLSA-N,"InChI=1S/C6H12O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3-4,7-10,13H,1-2H2,(H,11,12)/t3-,4-,6-/m1/s1",O=C(O)[C@@](O)(CO)[C@H](O)[C@H](O)CO,C6H12O7,pos_2MNa,196.058302724,XONDRGRALZTVKD,Carbohydrates,Saccharides,Monosaccharides,Plantago lanceolata,376074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lanceolata'],6,0,6.0
9776,1196,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
9777,1196,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
9778,1196,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9779,1196,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9780,1196,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9781,1196,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9782,1196,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
9783,1196,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9784,1196,-1,,,,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1proton1ethylamine,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9785,1196,-1,,,,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
9786,1195,-1,,,,0.0,MS1_match,DOMMIWPNHXWCPJ-FFDFYAMSSA-N,"InChI=1S/C20H34O9/c1-10(2)8-25-18-16(27-12(5)21)15(24)17(28-13(6)22)19(26-9-11(3)4)20(18)29-14(7)23/h10-11,15-20,24H,8-9H2,1-7H3/t15-,16-,17+,18-,19-,20+/m1/s1",CC(=O)O[C@H]1[C@H](OCC(C)C)[C@H](OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1OCC(C)C,C20H34O9,pos_1_1sodium,418.220282668,DOMMIWPNHXWCPJ,,,,Hymenoxys robusta,7604698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Hymenoxys'],['Hymenoxys robusta'],6,0,6.0
9787,1195,-1,,,,0.0,MS1_match,ALJVNMJOPJFORR-VOCHOFQGSA-N,"InChI=1S/C25H38O3/c1-6-16(2)21(26)28-20-10-11-23(5)18(22(20,3)4)9-12-24-13-17(7-8-19(23)24)25(14-24)15-27-25/h6,17-20H,7-15H2,1-5H3/b16-6-/t17-,18-,19+,20-,23-,24+,25+/m1/s1",C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@@]2(CO2)C4)C1(C)C,C25H38O3,pos_1_minus1proton1iron,386.282095076,ALJVNMJOPJFORR,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Smallanthus uvedalia,1007569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus uvedalia'],6,0,6.0
9788,1195,-1,,,,0.0,MS1_match,PTUVROGNDVHDLC-YFRQFGLRSA-N,"InChI=1S/C25H38O3/c1-5-17(2)21(26)27-15-22(3)10-6-11-23(4)19(22)9-12-24-13-18(7-8-20(23)24)25(14-24)16-28-25/h5,18-20H,6-16H2,1-4H3/b17-5-/t18-,19-,20+,22+,23-,24+,25+/m1/s1",C/C=C(/C)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@]1(CO1)C3,C25H38O3,pos_1_minus1proton1iron,386.282095076,PTUVROGNDVHDLC,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Smallanthus uvedalia,1007569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus uvedalia'],6,0,6.0
9789,1195,-1,,,,0.0,MS1_match,VACIGXFHCWGMIF-IYXIJRKMSA-N,"InChI=1S/C25H38O3/c1-6-16(2)15-28-21-17(3)18-8-9-20-23(4)11-7-12-24(5,22(26)27)19(23)10-13-25(20,21)14-18/h6,18-21H,3,7-15H2,1-2,4-5H3,(H,26,27)/b16-6-/t18-,19+,20+,21+,23-,24+,25-/m0/s1",C=C1[C@H]2CC[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)O)[C@@H]4CC[C@@]3(C2)[C@@H]1OC/C(C)=C\C,C25H38O3,pos_1_minus1proton1iron,386.282095076,VACIGXFHCWGMIF,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Smallanthus maculatus,903552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Smallanthus'],['Smallanthus maculatus'],6,0,6.0
9790,1194,-1,,,,0.40048352,ISDB,TUPBJUPCUBTDSL-ZRDOBDDISA-N,"InChI=1S/C14H22O2/c1-13(2)6-8-10(7-13)14(3)5-4-9(14)12(16)11(8)15/h4,8,10-12,15-16H,5-7H2,1-3H3/t8-,10+,11+,12?,14?/m1/s1",CC1(C)C[C@H]2[C@H](O)C(O)C3=CCC3(C)[C@H]2C1,C14H22O2,,222.161979944,TUPBJUPCUBTDSL,Terpenoids,Sesquiterpenoids,Protoilludane sesquiterpenoids,Microcosmus vulgaris,331382.0,['Eukaryota'],['Metazoa'],['Chordata'],['Ascidiacea'],['Stolidobranchia'],['Pyuridae'],['Unknown'],['Microcosmus'],['Microcosmus sulcatus'],2,0,3.60193407535553
9791,1191,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5982324,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis trichanthera,755721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis trichanthera'],4,0,6.392929553985596
9792,1191,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.5982324,ISDB,IPDUMYRKLCXLQE-UHFFFAOYSA-N,"InChI=1S/C23H33NO4S/c1-19(2)7-6-8-20(3)14-17-28-22-11-9-21(10-12-22)13-16-24(4)23(25)15-18-29(5,26)27/h7,9-12,14-15,18H,6,8,13,16-17H2,1-5H3",CC(C)=CCCC(C)=CCOc1ccc(CCN(C)C(=O)C=CS(C)(=O)=O)cc1,C23H33NO4S,,419.213029536,IPDUMYRKLCXLQE,Alkaloids,,,Glycosmis angustifolia,6125986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Glycosmis'],['Glycosmis angustifolia'],4,0,6.392929553985596
9793,1189,-1,,,,0.5154929,ISDB,VCWPWIIAWRHOAN-RHEWKBJKSA-N,"InChI=1S/C23H39NO2/c1-14(24-15(2)25)19-7-8-20-18-6-5-16-13-17(26)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,26H,5-13H2,1-4H3,(H,24,25)/t14-,16-,17-,18-,19+,20+,21+,22-,23+/m0/s1",CC(=O)N[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C,C23H39NO2,,361.298079488,VCWPWIIAWRHOAN,Terpenoids,Steroids,Pregnane steroids,Holarrhena pubescens,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],1,0,3.061971664428711
9794,1189,-1,,,,0.5154929,ISDB,VCWPWIIAWRHOAN-RHEWKBJKSA-N,"InChI=1S/C23H39NO2/c1-14(24-15(2)25)19-7-8-20-18-6-5-16-13-17(26)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,26H,5-13H2,1-4H3,(H,24,25)/t14-,16-,17-,18-,19+,20+,21+,22-,23+/m0/s1",CC(=O)N[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C,C23H39NO2,,361.298079488,VCWPWIIAWRHOAN,Terpenoids,Steroids,Pregnane steroids,Wrightia antidysenterica,495827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Malouetieae'],['Holarrhena'],['Holarrhena pubescens'],1,0,3.061971664428711
9795,1187,-1,,,,0.5310375,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,8.124150037765503
9796,1187,-1,,,,0.5310375,ISDB,ICFXJOAKQGDRCT-ZIHMWMKCSA-N,"InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1",CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C29H48O2,,428.365430776,ICFXJOAKQGDRCT,Terpenoids,Steroids,Stigmastane steroids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,8.124150037765503
9797,1186,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.80406845,ISDB,REFJWTPEDVJJIY-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H",O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C15H10O7,,302.04265266,REFJWTPEDVJJIY,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,13.716273784637451
9798,1182,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.29146802,ISDB,GUAFOGOEJLSQBT-UHFFFAOYSA-N,"InChI=1S/C11H10O4/c1-13-9-5-7-3-4-11(12)15-8(7)6-10(9)14-2/h3-6H,1-2H3",COc1cc2ccc(=O)oc2cc1OC,C11H10O4,,206.0579088,GUAFOGOEJLSQBT,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum dasyphyllum,14212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dasyphyllum'],8,3,10.66587209701538
9799,1181,-1,,,,0.0,MS1_match,OUSLYTBGQGKTME-UHFFFAOYSA-N,"InChI=1S/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2",O=C1C(OC2OC(CO)C(O)C(O)C2O)Oc2ccccc2N1O,C14H17NO9,pos_1_1proton1ethylamine,343.090331124,OUSLYTBGQGKTME,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9800,1178,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,QEGQIJLALWETNE-CLGLNXEMSA-N,"InChI=1S/C27H38O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h8,10,13,16-17,20-24H,5-7,9,11-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H38O3,pos_1_1proton1ammonium,410.282095076,QEGQIJLALWETNE,Terpenoids,Steroids,Spirostane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,1,8.5
9801,1178,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,AAYKNQSAVBPQIG-UHFFFAOYSA-N,"InChI=1S/C27H41NO3/c1-15-13-22(28-14-15)24(30)16(2)18-7-8-19-17-5-6-21-25(31)23(29)10-12-27(21,4)20(17)9-11-26(18,19)3/h15-21,23,29H,5-14H2,1-4H3",CC1CN=C(C(=O)C(C)C2CCC3C4CCC5C(=O)C(O)CCC5(C)C4CCC23C)C1,C27H41NO3,pos_1_1proton,427.308644172,AAYKNQSAVBPQIG,Terpenoids,Steroids,,Solanum obliquum,722338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum obliquum'],8,1,8.5
9802,1178,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,AAYKNQSAVBPQIG-UHFFFAOYSA-N,"InChI=1S/C27H41NO3/c1-15-13-22(28-14-15)24(30)16(2)18-7-8-19-17-5-6-21-25(31)23(29)10-12-27(21,4)20(17)9-11-26(18,19)3/h15-21,23,29H,5-14H2,1-4H3",CC1CN=C(C(=O)C(C)C2CCC3C4CCC5C(=O)C(O)CCC5(C)C4CCC23C)C1,C27H41NO3,pos_1_1proton,427.308644172,AAYKNQSAVBPQIG,Terpenoids,Steroids,,Solanum oblongifolium,3870049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum oblongifolium'],8,1,8.5
9803,1178,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,OENGBQNNEVGXFX-YBMSBAGSSA-N,"InChI=1S/C27H41NO3/c1-15-11-22(28-14-15)25(31)16(2)24-23(30)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-21,23-24,29-30H,6-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,23+,24-,26-,27-/m0/s1",C[C@@H]1CN=C(C(=O)[C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1,C27H41NO3,pos_1_1proton,427.308644172,OENGBQNNEVGXFX,Terpenoids,Steroids,Pregnane steroids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,1,8.5
9804,1177,-1,,,,0.2548264,ISDB,OOSWYTSUGOGTPC-UHFFFAOYSA-N,"InChI=1S/C13H10O7/c1-4-7(14)6-5(9(16)8(4)15)10(17)12-13(11(6)18-2)20-3-19-12/h15,17H,3H2,1-2H3",COc1c2c(c(O)c3c1C(=O)C(C)=C(O)C3=O)OCO2,C13H10O7,,278.04265266,OOSWYTSUGOGTPC,Polyketides,Naphthalenes,Naphthoquinones,Nepenthes rafflesiana,610893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nepenthaceae'],['Unknown'],['Nepenthes'],['Nepenthes rafflesiana'],4,0,5.01930558681488
9805,1176,-1,,,,0.67914814,ISDB,,,,,,,LXQHGFYWCMBZNJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.71659255027771
9806,1174,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.0,MS1_match,NESBODWIJLONJA-UHFFFAOYSA-N,"InChI=1S/C12H16N2O2/c1-2-16-12(15)14-8-4-6-11(14)10-5-3-7-13-9-10/h3,5,7,9,11H,2,4,6,8H2,1H3",CCOC(=O)N1CCCC1c1cccnc1,C12H16N2O2,pos_1_1proton1methanol,220.121177752,NESBODWIJLONJA,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5
9807,1173,-1,,,,0.0,MS1_match,OVEAWSPZRGBTSS-UHFFFAOYSA-N,"InChI=1S/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)",O=C(O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,C14H14N2O5,pos_1_1proton1ethylamine,290.090271548,OVEAWSPZRGBTSS,Amino acids and Peptides,Small peptides,Dipeptides,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
9808,1170,-1,,,,0.0,MS1_match,DNXHEGUUPJUMQT-CBZIJGRNSA-N,"InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1",C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O,C18H22O2,pos_1_minus1proton1calcium,270.161979944,DNXHEGUUPJUMQT,Terpenoids,Steroids,Estrane steroids,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,8.0
9809,1169,524,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,0.31440565,ISDB,LUHSAQXAWGYFFI-SLVUGFETSA-N,"InChI=1S/C45H38O18/c46-18-10-27(53)34-31(11-18)61-44(17-3-6-23(49)26(52)9-17)41(60)37(34)35-28(54)14-32-36(39(35)58)33(40(59)43(62-32)16-2-5-22(48)25(51)8-16)19-12-29(55)38(57)20-13-30(56)42(63-45(19)20)15-1-4-21(47)24(50)7-15/h1-12,14,30,33,37,40-44,46-60H,13H2/t30-,33+,37-,40-,41-,42-,43-,44-/m1/s1",Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@H](c1cc(O)c(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2,C45H38O18,,866.205814376,LUHSAQXAWGYFFI,Shikimates and Phenylpropanoids,Flavonoids,Proanthocyanins,Kandelia candel,973786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Kandelia'],['Kandelia candel'],4,3,6.757622599601746
9810,1168,769,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OQGHLKIINJRWAG-JQHPUGQPSA-N,"InChI=1S/C27H28O19/c28-5-11-13(33)15(35)18(38)26(42-11)44-21-10(32)4-9(31)12-14(34)23(20(43-22(12)21)6-1-2-7(29)8(30)3-6)45-27-19(39)16(36)17(37)24(46-27)25(40)41/h1-4,11,13,15-19,24,26-33,35-39H,5H2,(H,40,41)/t11-,13-,15+,16+,17+,18-,19-,24+,26+,27-/m1/s1",O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C27H28O19,pos_1_1proton1acetonitrile,656.122478676,OQGHLKIINJRWAG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Roemeria hybrida,5727905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Roemeria'],['Roemeria hybrida'],6,3,7.5
9811,1166,-1,,,,0.0,MS1_match,RBAKUBXTGCEYKA-HXGSDTCMSA-N,"InChI=1S/C22H28O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,10,12,15-17,26-27H,8-9H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1",CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(C=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C,C22H28O6,pos_2MFe,388.1885886159999,RBAKUBXTGCEYKA,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia fischeri,3912410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeri'],8,0,8.0
9812,1166,-1,,,,0.0,MS1_match,GYXLGRPTVRBMFK-OVURXTQHSA-N,"InChI=1S/C22H28O6/c1-11(23)25-10-12-14-16-21(26-16)9-6-13-19(2,3)7-5-8-20(13,4)15(21)17-22(14,27-17)28-18(12)24/h13,15-17H,5-10H2,1-4H3/t13-,15+,16-,17-,20-,21+,22-/m1/s1",CC(=O)OCC1=C2[C@H]3O[C@]34CC[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]4[C@H]3O[C@@]23OC1=O,C22H28O6,pos_2MFe,388.188588616,GYXLGRPTVRBMFK,Terpenoids,Diterpenoids,Secoabietane diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],8,0,8.0
9813,1166,-1,,,,0.0,MS1_match,WLTRJQPEAXRLHQ-OAHLLOKOSA-N,"InChI=1S/C22H28O6/c1-6-15(23)14-10-17(25)28-22-18(14)20(26)13(8-7-11(2)3)21(27)19(22)16(24)9-12(4)5/h7,10,12,15,23,26-27H,6,8-9H2,1-5H3/t15-/m1/s1",CC[C@@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12,C22H28O6,pos_2MFe,388.188588616,WLTRJQPEAXRLHQ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],8,0,8.0
9814,1166,-1,,,,0.0,MS1_match,RBAKUBXTGCEYKA-HXGSDTCMSA-N,"InChI=1S/C22H28O6/c1-11-6-16-20(26,18(11)25)9-14(10-23)7-15-17-19(4,5)21(17,28-13(3)24)8-12(2)22(15,16)27/h6-7,10,12,15-17,26-27H,8-9H2,1-5H3/t12-,15+,16-,17-,20-,21+,22-/m1/s1",CC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(C=O)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C,C22H28O6,pos_2MFe,388.1885886159999,RBAKUBXTGCEYKA,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],8,0,8.0
9815,1165,-1,,,,0.55765307,ISDB,XJGNXZWMUQOBJJ-MHORFTMASA-N,"InChI=1S/C18H29NO2/c1-3-17(20)12-15-10-7-11-16(19(15)2)13-18(21)14-8-5-4-6-9-14/h4-6,8-9,15-18,20-21H,3,7,10-13H2,1-2H3/t15-,16+,17-,18-/m0/s1",CC[C@H](O)C[C@@H]1CCC[C@H](C[C@H](O)c2ccccc2)N1C,C18H29NO2,,291.219829168,XJGNXZWMUQOBJJ,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Sedum acre,387652.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Saxifragales'],['Crassulaceae'],['Unknown'],['Sedum'],['Sedum acre'],1,0,3.230612277984619
9816,1163,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.2741727,ISDB,SMOKZFNZPZHGMX-UHFFFAOYSA-N,"InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3",CC(=O)CCCCCCCCCCCCC1CCC(O)C(C)N1,C20H39NO2,,325.298079488,SMOKZFNZPZHGMX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Cassia leptophylla,3916836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Cassia'],['Cassia leptophylla'],1,3,3.5966907739639282
9817,1163,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.2741727,ISDB,SMOKZFNZPZHGMX-HSALFYBXSA-N,"InChI=1S/C20H39NO2/c1-17(22)13-11-9-7-5-3-4-6-8-10-12-14-19-15-16-20(23)18(2)21-19/h18-21,23H,3-16H2,1-2H3/t18-,19+,20-/m1/s1",CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)N1,C20H39NO2,,325.298079488,SMOKZFNZPZHGMX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Senna spectabilis,901217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna spectabilis'],1,3,3.5966907739639282
9818,1162,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ethylamine,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
9819,1162,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ethylamine,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
9820,1159,-1,,,,0.723988,ISDB,,,,,,,CCNRPBKIZOCGAB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.895951986312866
9821,1158,-1,,,,0.0,MS1_match,RNSOPTPHJBVSTN-PNKFGSDASA-N,"InChI=1S/C28H38O6/c1-6-7-8-9-10-11-22(30)34-25-17(3)27(32)20-12-16(2)23(31)19(20)13-18(15-29)14-21(27)24-26(4,5)28(24,25)33/h8-12,14,17,19-21,24-25,29,32-33H,6-7,13,15H2,1-5H3/b9-8+,11-10?/t17-,19-,20-,21+,24-,25-,27+,28-/m1/s1",CCC/C=C/C=CC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12O,C28H38O6,pos_2MMg,470.266838936,RNSOPTPHJBVSTN,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,0,7.0
9822,1158,-1,,,,0.0,MS1_match,CPUJHCKQJUJDKJ-BCUQEEAOSA-N,"InChI=1S/C28H38O6/c1-15-14-28(34-22(32)16-10-8-7-9-11-16)17(18(15)29)20(30)26(5)13-12-25(4)19(21(31)24(25,2)3)27(26,6)23(28)33/h7-11,15,17-21,29-31H,12-14H2,1-6H3/t15-,17+,18-,19+,20+,21+,25-,26-,27+,28+/m0/s1",C[C@H]1C[C@]2(OC(=O)c3ccccc3)C(=O)[C@@]3(C)[C@@H]4[C@@H](O)C(C)(C)[C@@]4(C)CC[C@@]3(C)[C@H](O)[C@H]2[C@H]1O,C28H38O6,pos_2MMg,470.266838936,CPUJHCKQJUJDKJ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9823,1156,264,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KFBSMNVRNAZJEL-INJGANOJSA-N,"InChI=1S/C17H20O11/c1-26-10-7-8(3-5-9(10)18)4-6-11(19)28-15(17(24)25)12(20)14(27-2)13(21)16(22)23/h3-7,12-15,18,20-21H,1-2H3,(H,22,23)(H,24,25)/b6-4+/t12-,13-,14-,15+/m0/s1",COc1cc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@H](OC)[C@H](O)C(=O)O)ccc1O,C17H20O11,pos_1_1proton1methanol,400.10056146,KFBSMNVRNAZJEL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],7,3,8.5
9824,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Laurus,571536.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Laurus'],['Unknown'],4,3,7.712433099746704
9825,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia stechmanniana,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,3,7.712433099746704
9826,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia santolinifolia,154486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia santolinifolia'],4,3,7.712433099746704
9827,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Myrsine seguinii,659787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Primulaceae'],['Unknown'],['Myrsine'],['Myrsine seguinii'],4,3,7.712433099746704
9828,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia chamaemelifolia,119282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia chamaemelifolia'],4,3,7.712433099746704
9829,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-MODFVPIOSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11-,13-,14-,15+,16-,17-,19-/m1/s1",C[C@H](/C=C/[C@@]1(O)[C@H](C)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.20971798399984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Helicia cochinchinensis,835265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Proteaceae'],['Unknown'],['Helicia'],['Helicia cochinchinensis'],4,3,7.712433099746704
9830,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-AATRIKPKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+",CC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Betula platyphylla,731671.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Betula'],['Betula platyphylla'],4,3,7.712433099746704
9831,1155,81,Terpenoids,Apocarotenoids,Megastigmanes,0.5531083,ISDB,QFTPTUOKFIIFJH-UAGWJTNKSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+/t10-,11+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O8,,388.209717984,QFTPTUOKFIIFJH,Terpenoids,Apocarotenoids,Megastigmanes,Artemisia gmelinii,115033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia gmelinii'],4,3,7.712433099746704
9832,1153,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QAIPRVGONGVQAS-DUXPYHPUSA-N,"InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+",O=C(O)/C=C/c1ccc(O)c(O)c1,C9H8O4,pos_1_1proton,180.042258736,QAIPRVGONGVQAS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
9833,1151,-1,,,,0.0,MS1_match,JLHBPOUWGMGEPC-DIGZUXTDSA-N,"InChI=1S/C22H30O4/c1-12-15-10-14-6-7-18-21(3,4)19(25-13(2)23)8-9-22(18,5)16(14)11-17(15)26-20(12)24/h10,16-19H,6-9,11H2,1-5H3/t16-,17-,18-,19+,22+/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4C=C3CC[C@@H]2C1(C)C,C22H30O4,pos_2MMg,358.21440944,JLHBPOUWGMGEPC,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],7,0,7.0
9834,1151,-1,,,,0.0,MS1_match,IZSBFHPJUCBKRO-JDDYQBOKSA-N,"InChI=1S/C22H30O4/c1-12-11-22-9-6-15-20(3,4)16(24)7-8-21(15,5)19(22)18(26-13(2)23)14(12)10-17(22)25/h14-15,18-19H,1,6-11H2,2-5H3/t14-,15-,18-,19+,21-,22-/m1/s1",C=C1C[C@@]23CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]2[C@H](OC(C)=O)[C@@H]1CC3=O,C22H30O4,pos_2MMg,358.21440944,IZSBFHPJUCBKRO,Terpenoids,Diterpenoids,Atisane diterpenoids,Euphorbia jolkinii,252644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia jolkinii'],7,0,7.0
9835,1150,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,FZKCYZNAORCYGO-HEGMYTHOSA-N,"InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22-,28-,29+,30+,31-,32+,35+/m0/s1",CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]12OC(C)=O,C35H46O10,pos_1_1proton1ethylamine,626.309097672,FZKCYZNAORCYGO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,8.5
9836,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9837,1149,-1,,,,0.0,MS1_match,PUGBZUWUTZUUCP-ZRKHGVCBSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.3705161559999,PUGBZUWUTZUUCP,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9838,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea iberica,726027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea iberica'],7,0,7.0
9839,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,0,7.0
9840,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,0,7.0
9841,1149,-1,,,,0.0,MS1_match,PUGBZUWUTZUUCP-ZRKHGVCBSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1",CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.3705161559999,PUGBZUWUTZUUCP,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9842,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
9843,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea nigra,717413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nigra'],7,0,7.0
9844,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
9845,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Galactites tomentosus,25038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Galactites'],['Galactites tomentosus'],7,0,7.0
9846,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea nigra,717413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea nigra'],7,0,7.0
9847,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
9848,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Onopordum nervosum,341879.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum nervosum'],7,0,7.0
9849,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Saussurea controversa,115172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea controversa'],7,0,7.0
9850,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-PODYLUTMSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Carthamus tinctorius,1061541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carthamus'],['Carthamus tinctorius'],7,0,7.0
9851,1149,-1,,,,0.0,MS1_match,SGNBVLSWZMBQTH-SSKRYHHQSA-N,"InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27?,28?/m1/s1",CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CCC4(C)[C@H]3CCC12C,C28H48O,pos_2MFe,400.370516156,SGNBVLSWZMBQTH,Terpenoids,Steroids,Cholestane steroids,Centaurea iberica,726027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea iberica'],7,0,7.0
9852,1147,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,XLXHGROHDWBKGZ-CYMWXXARSA-N,"InChI=1S/C19H24O3/c1-10-4-6-18(3)12(8-10)5-7-19-14(18)9-13-15(16(19)22-19)11(2)17(20)21-13/h9-10,12,14,16H,4-8H2,1-3H3/t10-,12-,14+,16?,18-,19?/m1/s1",CC1=C2C(=C[C@@H]3C4(CC[C@@H]5C[C@H](C)CC[C@]53C)OC24)OC1=O,C19H24O3,pos_2MMg,300.172544628,XLXHGROHDWBKGZ,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],7,1,7.5
9853,1146,307,Terpenoids,Aromatic polyketides,Catechols with side chains,0.0,MS1_match,YMAXHUPCQQAPPC-OKGXHQFUSA-N,"InChI=1S/C21H34O4/c1-12(22)14-5-9-21(25)17(14,2)8-6-15-18(3)7-4-13-10-19(13,18)16(23)11-20(15,21)24/h12-16,22-25H,4-11H2,1-3H3/t12-,13-,14-,15-,16-,17-,18-,19+,20+,21-/m1/s1",C[C@@H](O)[C@H]1CC[C@@]2(O)[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H]4C[C@@]43[C@H](O)C[C@]12O,C21H34O4,pos_1_1proton1isopropanol,350.24570956799994,YMAXHUPCQQAPPC,Terpenoids,Steroids,Pregnane steroids,Saussurea muliensis,636940.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea muliensis'],7,1,7.5
9854,1145,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1sodium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
9855,1145,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1sodium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
9856,1138,-1,,,,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2MNa,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
9857,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,0,7.0
9858,1137,-1,,,,0.0,MS1_match,PHJYCLCTXRJHJZ-SMLCLMEVSA-N,"InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2/t13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,PHJYCLCTXRJHJZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
9859,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
9860,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
9861,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
9862,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
9863,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
9864,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
9865,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
9866,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
9867,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
9868,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
9869,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,0,7.0
9870,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
9871,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
9872,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
9873,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
9874,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea linifolia,528737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea linifolia'],7,0,7.0
9875,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
9876,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
9877,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
9878,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,0,7.0
9879,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
9880,1137,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MNa,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
9881,1137,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_2MNa,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
9882,1137,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_2MNa,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
9883,1135,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,FIYPYRNWAKRRIU-UHFFFAOYSA-N,"InChI=1S/C16H12O6/c1-21-9-4-2-8(3-5-9)13-7-11(18)14-10(17)6-12(19)15(20)16(14)22-13/h2-7,17,19-20H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)cc1,C16H12O6,pos_1_1proton,300.063388104,FIYPYRNWAKRRIU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,1,8.5
9884,1133,-1,,,,0.0,MS1_match,XQKBGHNKHIYCQA-NLHBWZQLSA-N,"InChI=1S/C29H34O16/c1-10-21(32)24(35)26(37)28(42-10)41-9-19-23(34)25(36)27(38)29(45-19)43-12-6-13(30)20-14(31)8-15(44-16(20)7-12)11-4-17(39-2)22(33)18(5-11)40-3/h4-8,10,19,21,23-30,32-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28+,29+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.184685008,XQKBGHNKHIYCQA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Setaria italica,553005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Setaria'],['Setaria italica'],6,0,6.0
9885,1133,-1,,,,0.0,MS1_match,XQKBGHNKHIYCQA-NLHBWZQLSA-N,"InChI=1S/C29H34O16/c1-10-21(32)24(35)26(37)28(42-10)41-9-19-23(34)25(36)27(38)29(45-19)43-12-6-13(30)20-14(31)8-15(44-16(20)7-12)11-4-17(39-2)22(33)18(5-11)40-3/h4-8,10,19,21,23-30,32-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28+,29+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.184685008,XQKBGHNKHIYCQA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Poa secunda,570294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Poa'],['Poa secunda'],6,0,6.0
9886,1133,-1,,,,0.0,MS1_match,XQKBGHNKHIYCQA-NLHBWZQLSA-N,"InChI=1S/C29H34O16/c1-10-21(32)24(35)26(37)28(42-10)41-9-19-23(34)25(36)27(38)29(45-19)43-12-6-13(30)20-14(31)8-15(44-16(20)7-12)11-4-17(39-2)22(33)18(5-11)40-3/h4-8,10,19,21,23-30,32-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28+,29+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.184685008,XQKBGHNKHIYCQA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Poa juncifolia,3950452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Poa'],['Poa pauciflora'],6,0,6.0
9887,1133,-1,,,,0.0,MS1_match,AIBMPOJXBGZIPQ-KWPIFUAOSA-N,"InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28?,29+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.184685008,AIBMPOJXBGZIPQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,0,6.0
9888,1133,-1,,,,0.0,MS1_match,AIBMPOJXBGZIPQ-QWNFCSOYSA-N,"InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28-,29+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.1846850080001,AIBMPOJXBGZIPQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saccharum officinarum,1079465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Saccharum'],['Saccharum officinarum'],6,0,6.0
9889,1133,-1,,,,0.0,MS1_match,AIBMPOJXBGZIPQ-UHFFFAOYSA-N,"InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3",COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.184685008,AIBMPOJXBGZIPQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saccharum,1079469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Saccharum'],['Unknown'],6,0,6.0
9890,1133,-1,,,,0.0,MS1_match,AIBMPOJXBGZIPQ-KWPIFUAOSA-N,"InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28?,29+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.184685008,AIBMPOJXBGZIPQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,0,6.0
9891,1133,-1,,,,0.0,MS1_match,AIBMPOJXBGZIPQ-QWNFCSOYSA-N,"InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3/t10-,19+,21-,23+,24+,25-,26+,27+,28-,29+/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.1846850080001,AIBMPOJXBGZIPQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saccharum officinarum,1079465.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Saccharum'],['Saccharum officinarum'],6,0,6.0
9892,1133,-1,,,,0.0,MS1_match,AIBMPOJXBGZIPQ-UHFFFAOYSA-N,"InChI=1S/C29H34O16/c1-10-21(33)24(36)26(38)28(41-10)45-27-25(37)23(35)19(9-30)44-29(27)42-12-6-13(31)20-14(32)8-15(43-16(20)7-12)11-4-17(39-2)22(34)18(5-11)40-3/h4-8,10,19,21,23-31,33-38H,9H2,1-3H3",COc1cc(-c2cc(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)cc3o2)cc(OC)c1O,C29H34O16,pos_1_1sodium,638.184685008,AIBMPOJXBGZIPQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Saccharum,1079469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Saccharum'],['Unknown'],6,0,6.0
9893,1132,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
9894,1132,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
9895,1132,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OVSQVDMCBVZWGM-LVWULRLVSA-N,"InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18+,21-/m0/s1",O=c1c(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O12,pos_1_1proton,464.09547608,OVSQVDMCBVZWGM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
9896,1128,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.7033983,ISDB,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,13.31359314918518
9897,1127,115,Polyketides,Tryptophan alkaloids,Simple indole alkaloids,0.3700446,ISDB,PLDISGVCDWLKQC-UHFFFAOYSA-N,"InChI=1S/C15H8O6/c16-9-5-8-10(14(19)11(9)15(20)21)13(18)7-4-2-1-3-6(7)12(8)17/h1-5,16,19H,(H,20,21)",O=C1c2ccccc2C(=O)c2c1cc(O)c(C(=O)O)c2O,C15H8O6,,284.032087976,PLDISGVCDWLKQC,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Tectona grandis,738848.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Tectona'],['Tectona grandis'],5,1,6.980178356170654
9898,1126,-1,,,,0.0,MS1_match,LGVOODZZCSSKEY-NYMGVAQDSA-N,"InChI=1S/C31H44O9/c1-11-15(4)28(36)38-24-21-20(29(21,9)10)23(37-19(8)32)18(7)25(34)30-13-17(6)26(39-27(35)14(2)3)31(30,40-30)12-16(5)22(24)33/h11-12,14,17-18,20-24,26,33H,13H2,1-10H3/b15-11+,16-12+/t17-,18+,20-,21+,22+,23-,24-,26-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(=O)C(C)C)[C@]3(/C=C(\C)[C@H]1O)O4)C2(C)C,C31H44O9,pos_1_minus1proton2sodium,560.298532988,LGVOODZZCSSKEY,Terpenoids,Sesquiterpenoids,,Euphorbia lactea,38564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lactea'],8,0,8.0
9899,1125,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,XMZHRQCSOUZPRM-RNEWTTPSSA-N,"InChI=1S/C47H75NO16/c1-19-14-30(60-23(5)50)33-20(2)32-29(48(33)17-19)16-28-26-9-8-24-15-25(10-12-46(24,6)27(26)11-13-47(28,32)7)61-45-42(64-44-39(56)37(54)35(52)22(4)59-44)40(57)41(31(18-49)62-45)63-43-38(55)36(53)34(51)21(3)58-43/h8,19-22,25-45,49,51-57H,9-18H2,1-7H3/t19-,20-,21-,22-,25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35-,36+,37+,38+,39+,40-,41+,42+,43-,44-,45+,46-,47-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C,C47H75NO16,pos_1_1proton,909.50858532,XMZHRQCSOUZPRM,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,9.5
9900,1123,-1,,,,0.28707308,ISDB,GCAMBACYWCGZAG-UHFFFAOYSA-N,"InChI=1S/C11H15NO3/c1-8-10(13)7-6-9(12-8)4-3-5-11(14)15-2/h6-7,13H,3-5H2,1-2H3",COC(=O)CCCc1ccc(O)c(C)n1,C11H15NO3,,209.10519334,GCAMBACYWCGZAG,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Senna multijuga,68519.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Senna'],['Senna multijuga'],4,0,5.148292303085327
9901,1121,-1,,,,0.66582733,ISDB,LGHXTTIAZFVCCU-UHFFFAOYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-17H,2-9H2,1H3,(H,19,20)",CCCCCCCCCC=CC=CC=CC=CC(=O)O,C18H28O2,,276.208930136,LGHXTTIAZFVCCU,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Arbacia punctulata,616569.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Echinoidea'],['Arbacoida'],['Arbaciidae'],['Unknown'],['Arbacia'],['Arbacia punctulata'],2,0,4.663309335708618
9902,1120,334,Terpenoids,Triterpenoids,Cholestane steroids,0.45294678,ISDB,ZQHSDLDNYVKIDE-OJTWWPIFSA-N,"InChI=1S/C28H44O5/c1-15(17(3)14-29)6-7-16(2)20-13-23(32)24-18-12-22(31)25-26(33)21(30)9-11-27(25,4)19(18)8-10-28(20,24)5/h16-17,19-22,25-26,29-31,33H,1,6-14H2,2-5H3/t16-,17-,19+,20-,21+,22+,25+,26+,27-,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC(=O)C2=C3C[C@H](O)[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H](C)CO,C28H44O5,,460.3188745079999,ZQHSDLDNYVKIDE,Terpenoids,Steroids,Cholestane steroids,Certonardoa semiregularis,987828.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Asteroidea'],['Valvatida'],['Ophidiasteridae'],['Unknown'],['Certonardoa'],['Certonardoa semiregularis'],2,3,5.311787128448486
9903,1119,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.648544,ISDB,FBIPGCRLBUAKTF-UHFFFAOYSA-N,"InChI=1S/C18H28O4/c1-4-5-6-7-16(21-2)13-15(19)10-8-14-9-11-17(20)18(12-14)22-3/h9,11-12,16,20H,4-8,10,13H2,1-3H3",CCCCCC(CC(=O)CCc1ccc(O)c(OC)c1)OC,C18H28O4,,308.198759376,FBIPGCRLBUAKTF,Alkaloids,,,Zingiber officinale,1063866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Zingiberales'],['Zingiberaceae'],['Unknown'],['Zingiber'],['Zingiber officinale'],1,1,4.0941760540008545
9904,1118,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.0,MS1_match,JZEPGIHACXZLFL-NYKPPTNSSA-N,"InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-6-11-7-14(19-10(3)17)13(8-12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12+,13+,14-/m1/s1",C/C=C(\C)C(=O)O[C@H]1C[C@@H]2C[C@@H](OC(C)=O)[C@H](C1)N2C,C15H23NO4,pos_1_1proton1isopropanol,281.162708216,JZEPGIHACXZLFL,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,2,7.0
9905,1118,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.0,MS1_match,ADNCMUUXIVQCLS-IZZDOVSWSA-N,"InChI=1S/C17H27NO4/c1-6-11(4)17(20)21-13-7-12-8-15(14(9-13)18(12)5)22-16(19)10(2)3/h6,10,12-15H,7-9H2,1-5H3/b11-6+",C/C=C(\C)C(=O)OC1CC2CC(OC(=O)C(C)C)C(C1)N2C,C17H27NO4,pos_1_1proton1methanol,309.194008344,ADNCMUUXIVQCLS,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Datura stramonium,822825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura stramonium'],6,2,7.0
9906,1116,-1,,,,0.25998154,ISDB,HBKBJDDONUOQOC-BTEBGSKGSA-N,"InChI=1S/C20H28O3/c1-12(2)6-5-7-13(3)15-10-18(23)16(11-21)20(15)19-14(4)8-9-17(19)22/h6-9,11,14-16,18-20,23H,5,10H2,1-4H3/b13-7-/t14-,15+,16-,18+,19-,20-/m1/s1",CC(C)=CC/C=C(/C)[C@@H]1C[C@H](O)[C@@H](C=O)[C@@H]1[C@H]1C(=O)C=C[C@H]1C,C20H28O3,,316.203844756,HBKBJDDONUOQOC,Terpenoids,,,Dilophus febrilis,423689.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Bibionidae'],['Unknown'],['Dilophus'],['Dilophus febrilis'],4,0,5.039926171302795
9907,1114,-1,,,,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9908,1114,-1,,,,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9909,1114,-1,,,,0.0,MS1_match,VCWMRQDBPZKXKG-QEQCSJCDSA-N,"InChI=1S/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H2/t2-,3-,4-,5-,6+,7-,8+,9-,10-,11+,12+/m0/s1",OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.11621152399994,VCWMRQDBPZKXKG,Carbohydrates,Polyols,Cyclitols,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9910,1114,-1,,,,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
9911,1113,-1,,,,0.29298332,ISDB,UPVDFUGORYNXMW-UHFFFAOYSA-N,"InChI=1S/C32H38O20/c1-10-19(38)22(41)24(43)29(48-10)46-7-17-20(39)23(42)27(52-31-28(44)32(45,8-33)9-47-31)30(50-17)51-26-21(40)18-15(37)5-12(34)6-16(18)49-25(26)11-2-3-13(35)14(36)4-11/h2-6,10,17,19-20,22-24,27-31,33-39,41-45H,7-9H2,1H3",CC1OC(OCC2OC(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(OC3OCC(O)(CO)C3O)C(O)C2O)C(O)C(O)C1O,C32H38O20,,742.195643616,UPVDFUGORYNXMW,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum glaucophyllum,326639.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum glaucophyllum'],8,0,9.17193329334259
9912,1112,-1,,,,0.21299708,ISDB,NCCJSLVFKCUXJL-LJQANCHMSA-N,"InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-19(2)23-21(20)22/h18-19H,3-17H2,1-2H3/t19-/m1/s1",CCCCCCCCCCCCCCCCC1=C[C@@H](C)OC1=O,C21H38O2,,322.287180456,NCCJSLVFKCUXJL,Polyketides,Linear polyketides,Acetogenins,Pterogorgia anceps,605239.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Pterogorgia'],['Pterogorgia anceps'],2,0,2.8519883155822754
9913,1110,180,Fatty acids,Fatty Acids and Conjugates,Eudesmane sesquiterpenoids,0.37612608,ISDB,HOGWBMWOBRRKCD-UHFFFAOYSA-N,"InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)",CCCCCCCCCCCCC=CC(=O)O,C15H28O2,,240.208930136,HOGWBMWOBRRKCD,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Arbacia punctulata,616569.0,['Eukaryota'],['Metazoa'],['Echinodermata'],['Echinoidea'],['Arbacoida'],['Arbaciidae'],['Unknown'],['Arbacia'],['Arbacia punctulata'],2,2,4.504504323005676
9914,1108,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-KVTDHHQDSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1",OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,C6H14O6,pos_2MK,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Euphorbia plumerioides,1009375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia plumerioides'],7,0,7.0
9915,1108,-1,,,,0.0,MS1_match,BGNXBPPAQJJLSA-QEUCBDMBSA-N,"InChI=1S/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3/t12-,14+,16-,17+,19-,20-/m1/s1",CC1=C[C@H]2[C@@]3(O)[C@H](C)CC(=O)[C@@H](C(C)C)[C@@H]3C=C(CO)C[C@]2(O)C1=O,C20H28O5,pos_1_minus1proton1iron,348.1936739959999,BGNXBPPAQJJLSA,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],7,0,7.0
9916,1108,-1,,,,0.0,MS1_match,BGNXBPPAQJJLSA-UHFFFAOYSA-N,"InChI=1S/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3",CC1=CC2C(O)(CC(CO)=CC3C(C(C)C)C(=O)CC(C)C32O)C1=O,C20H28O5,pos_1_minus1proton1iron,348.193673996,BGNXBPPAQJJLSA,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia fischeri,3912410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeri'],7,0,7.0
9917,1108,-1,,,,0.0,MS1_match,BGNXBPPAQJJLSA-QEUCBDMBSA-N,"InChI=1S/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3/t12-,14+,16-,17+,19-,20-/m1/s1",CC1=C[C@H]2[C@@]3(O)[C@H](C)CC(=O)[C@@H](C(C)C)[C@@H]3C=C(CO)C[C@]2(O)C1=O,C20H28O5,pos_1_minus1proton1iron,348.1936739959999,BGNXBPPAQJJLSA,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],7,0,7.0
9918,1108,-1,,,,0.0,MS1_match,BGNXBPPAQJJLSA-UHFFFAOYSA-N,"InChI=1S/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3",CC1=CC2C(O)(CC(CO)=CC3C(C(C)C)C(=O)CC(C)C32O)C1=O,C20H28O5,pos_1_minus1proton1iron,348.193673996,BGNXBPPAQJJLSA,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia fischeri,3912410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeri'],7,0,7.0
9919,1108,-1,,,,0.0,MS1_match,STNYLQGVPSNGGH-QQPVWDQJSA-N,"InChI=1S/C20H28O5/c1-10-12-8-11-13(21)9-14-18(2,3)6-5-7-19(14,4)15(11)16(22)20(12,24)25-17(10)23/h8,13-16,21-22,24H,5-7,9H2,1-4H3/t13-,14+,15-,16+,19+,20+/m0/s1",CC1=C2C=C3[C@@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@]2(O)OC1=O,C20H28O5,pos_1_minus1proton1iron,348.193673996,STNYLQGVPSNGGH,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],7,0,7.0
9920,1108,-1,,,,0.0,MS1_match,STNYLQGVPSNGGH-QQPVWDQJSA-N,"InChI=1S/C20H28O5/c1-10-12-8-11-13(21)9-14-18(2,3)6-5-7-19(14,4)15(11)16(22)20(12,24)25-17(10)23/h8,13-16,21-22,24H,5-7,9H2,1-4H3/t13-,14+,15-,16+,19+,20+/m0/s1",CC1=C2C=C3[C@@H](O)C[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@]2(O)OC1=O,C20H28O5,pos_1_minus1proton1iron,348.193673996,STNYLQGVPSNGGH,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia fischeri,3912410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeri'],7,0,7.0
9921,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-UHFFFAOYSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3",CC1=CC23C(=O)C(C=C(CO)C(O)C2(O)C1O)C1C(CC3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia sieboldiana,253558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sieboldiana'],7,0,7.0
9922,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-QNAAAWAZSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15-,16+,19+,20+/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@H](O)[C@@]2(O)[C@@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia drupifera,606489.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia drupifera'],7,0,7.0
9923,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia pilosa,483279.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pilosa'],7,0,7.0
9924,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia palustris,315806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia palustris'],7,0,7.0
9925,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
9926,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia epithymoides,74837.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia epithymoides'],7,0,7.0
9927,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],7,0,7.0
9928,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia villosa,731893.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia villosa'],7,0,7.0
9929,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-UHFFFAOYSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3",CC1=CC23C(=O)C(C=C(CO)C(O)C2(O)C1O)C1C(CC3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],7,0,7.0
9930,1108,-1,,,,0.0,MS1_match,CECQLSSRZIBODZ-MFYSWCGQSA-N,"InChI=1S/C20H28O5/c1-9-5-13-12(15(9)22)6-11(8-21)7-14-16-18(3,4)20(16,25)17(23)10(2)19(13,14)24/h5,7,10,14-17,21-25H,6,8H2,1-4H3/t10-,14+,15+,16-,17-,19+,20-/m1/s1",CC1=CC2=C(CC(CO)=C[C@H]3[C@@H]4C(C)(C)[C@]4(O)[C@H](O)[C@@H](C)[C@]23O)[C@H]1O,C20H28O5,pos_1_minus1proton1iron,348.193673996,CECQLSSRZIBODZ,Terpenoids,Diterpenoids,,Euphorbia fischeri,3912410.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeri'],7,0,7.0
9931,1108,-1,,,,0.0,MS1_match,CECQLSSRZIBODZ-MFYSWCGQSA-N,"InChI=1S/C20H28O5/c1-9-5-13-12(15(9)22)6-11(8-21)7-14-16-18(3,4)20(16,25)17(23)10(2)19(13,14)24/h5,7,10,14-17,21-25H,6,8H2,1-4H3/t10-,14+,15+,16-,17-,19+,20-/m1/s1",CC1=CC2=C(CC(CO)=C[C@H]3[C@@H]4C(C)(C)[C@]4(O)[C@H](O)[C@@H](C)[C@]23O)[C@H]1O,C20H28O5,pos_1_minus1proton1iron,348.193673996,CECQLSSRZIBODZ,Terpenoids,Diterpenoids,,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],7,0,7.0
9932,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia ingens,683659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ingens'],7,0,7.0
9933,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia peplus,871281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia peplus'],7,0,7.0
9934,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia illirica,978152.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia illirica'],7,0,7.0
9935,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia segetalis,825700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia segetalis'],7,0,7.0
9936,1108,-1,,,,0.0,MS1_match,CBDIJHBGVGPIIE-MCDHERAVSA-N,"InChI=1S/C20H28O5/c1-10-5-14-18(23,16(10)22)8-12(9-21)6-13-15-17(3,4)19(15,24)7-11(2)20(13,14)25/h5-6,11,13-15,21,23-25H,7-9H2,1-4H3/t11-,13+,14-,15-,18-,19+,20-/m1/s1",CC1=C[C@H]2[C@@]3(O)[C@H](C)C[C@]4(O)[C@H]([C@@H]3C=C(CO)C[C@]2(O)C1=O)C4(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,CBDIJHBGVGPIIE,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],7,0,7.0
9937,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,0,7.0
9938,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-RGIVKYQRSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12-,13-,14-,15+,16-,19-,20-/m1/s1",CC1=C[C@@]23C(=O)[C@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia seguieriana,535720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia seguieriana'],7,0,7.0
9939,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-UHFFFAOYSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3",CC1=CC23C(=O)C(C=C(CO)C(O)C2(O)C1O)C1C(CC3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],7,0,7.0
9940,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-UHFFFAOYSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3",CC1=CC23C(=O)C(C=C(CO)C(O)C2(O)C1O)C1C(CC3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia fischeriana,521607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia fischeriana'],7,0,7.0
9941,1108,-1,,,,0.0,MS1_match,VEBVPUXQAPLADL-POYOOMFHSA-N,"InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1",CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C20H28O5,pos_1_minus1proton1iron,348.193673996,VEBVPUXQAPLADL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia tirucalli,566965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tirucalli'],7,0,7.0
9942,1107,-1,,,,0.0,MS1_match,DTEIMVRBDJBZAX-JAWKVFOISA-N,"InChI=1S/C37H43NO9/c1-22-15-16-36(6,7)31(41)19-30(45-35(43)28-14-11-17-38-21-28)23(2)18-29-32(46-34(42)27-12-9-8-10-13-27)24(3)20-37(29,47-26(5)40)33(22)44-25(4)39/h8-18,21-22,24,29-30,32-33H,19-20H2,1-7H3/b16-15+,23-18+/t22-,24-,29+,30-,32+,33-,37-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2cccnc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C37H43NO9,pos_1_1proton1isopropanol,645.293781956,DTEIMVRBDJBZAX,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
9943,1107,-1,,,,0.0,MS1_match,ADONXPDCJFWYAQ-KMXGTDMESA-N,"InChI=1S/C38H44O10/c1-23-17-18-37(5,6)32(42)20-31(46-35(43)27-13-9-7-10-14-27)29(22-39)19-30-33(47-36(44)28-15-11-8-12-16-28)24(2)21-38(30,48-26(4)41)34(23)45-25(3)40/h7-19,23-24,30-31,33-34,39H,20-22H2,1-6H3/b18-17+,29-19+/t23-,24-,30+,31-,33+,34-,38-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(CO)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C38H44O10,pos_1_1proton1ethylamine,660.2934476079998,ADONXPDCJFWYAQ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
9944,1106,-1,,,,0.0,MS1_match,YNXBNICISLIKLI-NMHHAJKESA-N,"InChI=1S/C56H94O30/c1-8-56(7,86-55-49(85-54-44(72)39(67)35(63)29(19-58)80-54)46(74)47(30(20-59)81-55)83-53-43(71)38(66)34(62)28(18-57)79-53)17-11-16-24(3)13-9-12-23(2)14-10-15-25(4)21-75-51-45(73)40(68)48(84-52-42(70)37(65)33(61)27(6)78-52)31(82-51)22-76-50-41(69)36(64)32(60)26(5)77-50/h8,12,15-16,26-55,57-74H,1,9-11,13-14,17-22H2,2-7H3/b23-12+,24-16+,25-15-/t26-,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45+,46-,47+,48+,49+,50+,51+,52-,53-,54-,55-,56+/m0/s1",C=C[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C56H94O30,pos_3_1proton2sodium,1246.582991608,YNXBNICISLIKLI,Terpenoids,Sesquiterpenoids,Farnesane sesquiterpenoids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
9945,1105,-1,,,,0.6858252,ISDB,CULUKMPMGVXCEI-UHFFFAOYSA-N,"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3",CN1CC2CC(C1)c1cccc(=O)n1C2,C12H16N2O,,204.126263132,CULUKMPMGVXCEI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Gymnospermium smirnovii,5727749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Gymnospermium'],['Gymnospermium smirnowii'],5,0,7.743300914764404
9946,1105,-1,,,,0.6858252,ISDB,CULUKMPMGVXCEI-NXEZZACHSA-N,"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10-/m1/s1",CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2,C12H16N2O,,204.126263132,CULUKMPMGVXCEI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Caulophyllum thalictroides,190644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Caulophyllum'],['Caulophyllum thalictroides'],5,0,7.743300914764404
9947,1105,-1,,,,0.6858252,ISDB,CULUKMPMGVXCEI-NXEZZACHSA-N,"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10-/m1/s1",CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2,C12H16N2O,,204.126263132,CULUKMPMGVXCEI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Caulophyllum robustum,229365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Caulophyllum'],['Caulophyllum robustum'],5,0,7.743300914764404
9948,1105,-1,,,,0.6858252,ISDB,CULUKMPMGVXCEI-NXEZZACHSA-N,"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10-/m1/s1",CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2,C12H16N2O,,204.126263132,CULUKMPMGVXCEI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Leontice leontopetalum,22670.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Leontice'],['Leontice leontopetalum'],5,0,7.743300914764404
9949,1105,-1,,,,0.6858252,ISDB,CULUKMPMGVXCEI-NXEZZACHSA-N,"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10-/m1/s1",CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2,C12H16N2O,,204.126263132,CULUKMPMGVXCEI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Gymnospermium darwasicum,6129804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Gymnospermium'],['Gymnospermium darwasicum'],5,0,7.743300914764404
9950,1105,-1,,,,0.6858252,ISDB,CULUKMPMGVXCEI-ZJUUUORDSA-N,"InChI=1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3/t9-,10+/m1/s1",CN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2,C12H16N2O,,204.126263132,CULUKMPMGVXCEI,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,Gymnospermium albertii,6129803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Berberidaceae'],['Unknown'],['Gymnospermium'],['Gymnospermium albertii'],5,0,7.743300914764404
9951,1104,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.22274008,ISDB,YDKRGMXLBRWZJR-KTKRTIGZSA-N,"InChI=1S/C22H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-",CCCCCCCC/C=C\CCCCCCCCCC(=O)NCCO,C22H43NO2,,353.329379616,YDKRGMXLBRWZJR,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,2,2.8909603357315063
9952,1101,-1,,,,0.0,MS1_match,ZBPRCHQHMTWQGF-HIFMHDRMSA-N,"InChI=1S/C29H46O5/c1-18-9-8-11-29(7)12-10-23(16-26(18)29)28(5,6)34-27-25(15-21(4)32)24(14-20(3)31)22(17-33-27)13-19(2)30/h9,22-27H,8,10-17H2,1-7H3/t22-,23-,24+,25-,26+,27?,29-/m1/s1",CC(=O)C[C@@H]1COC(OC(C)(C)[C@@H]2CC[C@@]3(C)CCC=C(C)[C@@H]3C2)[C@H](CC(C)=O)[C@H]1CC(C)=O,C29H46O5,pos_3_3sodium,474.334524572,ZBPRCHQHMTWQGF,Terpenoids,,,Iphiona scabra,238453.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Iphiona'],['Iphiona scabra'],6,0,6.0
9953,1101,-1,,,,0.0,MS1_match,IVWSGOOPQGMALJ-UHFFFAOYSA-N,"InChI=1S/C11H15N/c1-8-11(2,3)9-6-4-5-7-10(9)12-8/h4-8,12H,1-3H3",CC1Nc2ccccc2C1(C)C,C11H15N,pos_2MCa,161.12044948,IVWSGOOPQGMALJ,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Artemisia annua,637444.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia annua'],6,0,6.0
9954,1100,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9673244,ISDB,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],8,3,13.369297504425049
9955,1100,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9673244,ISDB,FOHXFLPXBUAOJM-FVNGHLGHSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m0/s1",O=c1c(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903906999998,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,3,13.369297504425049
9956,1100,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9673244,ISDB,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,3,13.369297504425049
9957,1100,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9673244,ISDB,FOHXFLPXBUAOJM-QUCXHVEGSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21-/m1/s1",O=c1c(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,3,13.369297504425049
9958,1100,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.9673244,ISDB,FOHXFLPXBUAOJM-UHFFFAOYSA-N,"InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,C21H20O13,,480.0903907,FOHXFLPXBUAOJM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia myrsinites,1059759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia myrsinites'],8,3,13.369297504425049
9959,1099,-1,,,,0.0,MS1_match,BEMHMJYMGFZFFQ-VGVAZAOGSA-N,"InChI=1S/C27H32O15/c28-8-14-17(31)19(33)22(36)27(40-14)42-25-15(9-29)41-26(23(37)21(25)35)39-13-7-11(30)6-12-16(13)18(32)20(34)24(38-12)10-4-2-1-3-5-10/h1-7,14-15,17,19-31,33-37H,8-9H2/t14-,15-,17+,19+,20-,21-,22-,23-,24-,25-,26-,27+/m1/s1",O=C1c2c(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)cc(O)cc2O[C@H](c2ccccc2)[C@@H]1O,C27H32O15,pos_2_1magnesium,596.174120324,BEMHMJYMGFZFFQ,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Adansonia digitata,659136.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Adansonia'],['Adansonia digitata'],6,0,6.0
9960,1095,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VBSPBYNZPRRGSB-UHFFFAOYSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2",OCC1OC(OCc2ccccc2O)C(O)C(O)C1O,C13H18O7,pos_1_1proton2acetonitrile,286.105252916,VBSPBYNZPRRGSB,Shikimates and Phenylpropanoids,,,Duboisia myoporoides,810421.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Anthocercideae'],['Duboisia'],['Duboisia myoporoides'],6,1,6.5
9961,1095,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VBSPBYNZPRRGSB-UHFFFAOYSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2",OCC1OC(OCc2ccccc2O)C(O)C(O)C1O,C13H18O7,pos_1_1proton2acetonitrile,286.105252916,VBSPBYNZPRRGSB,Shikimates and Phenylpropanoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,1,6.5
9962,1095,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,VBSPBYNZPRRGSB-UHFFFAOYSA-N,"InChI=1S/C13H18O7/c14-5-9-10(16)11(17)12(18)13(20-9)19-6-7-3-1-2-4-8(7)15/h1-4,9-18H,5-6H2",OCC1OC(OCc2ccccc2O)C(O)C(O)C1O,C13H18O7,pos_1_1proton2acetonitrile,286.105252916,VBSPBYNZPRRGSB,Shikimates and Phenylpropanoids,,,Datura inoxia,473815.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Datureae'],['Datura'],['Datura inoxia'],6,1,6.5
9963,1093,-1,,,,0.92312783,ISDB,RGESNQJVOSGLKA-FCHSOHFDSA-N,"InChI=1S/C15H22O/c1-9-5-6-11-12(9)13(16)14(2,3)7-10-8-15(10,11)4/h9-10H,5-8H2,1-4H3/t9-,10-,15+/m1/s1",C[C@@H]1CCC2=C1C(=O)C(C)(C)C[C@@H]1C[C@]21C,C15H22O,,218.167065324,RGESNQJVOSGLKA,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Lippia integrifolia,812012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lippia'],['Lippia integrifolia'],5,0,8.692511320114136
9964,1092,901,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,CMWJUTZFSDKTAV-UHFFFAOYSA-N,"InChI=1S/C24H30N4O/c1-26(2)13-11-17-15-25-20-9-10-22(29)24(23(17)20)28-16-18(12-14-27(3)4)19-7-5-6-8-21(19)28/h5-10,15-16,25,29H,11-14H2,1-4H3",CN(C)CCc1cn(-c2c(O)ccc3[nH]cc(CCN(C)C)c23)c2ccccc12,C24H30N4O,pos_1_minus1proton1iron,390.2419615799999,CMWJUTZFSDKTAV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Arundo donax,659304.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundineae'],['Arundo'],['Arundo donax'],6,3,7.5
9965,1091,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.45400757,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Achillea grandifolia,245232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea grandifolia'],4,3,7.316030263900757
9966,1091,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.45400757,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Cuminum cyminum,961856.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Scandiceae'],['Cuminum'],['Cuminum cyminum'],4,3,7.316030263900757
9967,1091,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.45400757,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Origanum dictamnus,479025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Origanum'],['Origanum dictamnus'],4,3,7.316030263900757
9968,1091,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.45400757,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Artemisia salsoloides,543049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia salsoloides'],4,3,7.316030263900757
9969,1091,938,Shikimates and Phenylpropanoids,Monoterpenoids,Menthane monoterpenoids,0.45400757,ISDB,YQUQWHNMBPIWGK-UHFFFAOYSA-N,"InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3",CC(C)c1ccc(O)cc1,C9H12O,,136.088815004,YQUQWHNMBPIWGK,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,7.316030263900757
9970,1085,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.75999063,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,3,6.539962530136108
9971,1085,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.75999063,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.539962530136108
9972,1085,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.75999063,ISDB,VZCCETWTMQHEPK-QNEBEIHSSA-N,"InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-",CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H30O2,,278.2245802,VZCCETWTMQHEPK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.539962530136108
9973,1084,-1,,,,0.3367769,ISDB,,,,,,,JFQHGWIDLBBFDM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.3471076488494873
9974,1083,-1,,,,0.39703688,ISDB,IUXDXOFLHJPUBQ-UHFFFAOYSA-N,"InChI=1S/C35H42O9/c1-21(43-29(38)22-10-6-4-7-11-22)33(40)16-17-34(41)32(33,3)28(44-30(39)23-12-8-5-9-13-23)20-26-31(2)15-14-25(36)18-24(31)19-27(37)35(26,34)42/h4-13,19,21,25-28,36-37,40-42H,14-18,20H2,1-3H3",CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)C(O)C=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C,C35H42O9,,606.282882924,IUXDXOFLHJPUBQ,Terpenoids,Steroids,Pregnane steroids,Cynanchum rostellatum,592208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Cynanchum'],['Cynanchum rostellatum'],4,0,5.588147521018982
9975,1083,-1,,,,0.39703688,ISDB,IUXDXOFLHJPUBQ-UHFFFAOYSA-N,"InChI=1S/C35H42O9/c1-21(43-29(38)22-10-6-4-7-11-22)33(40)16-17-34(41)32(33,3)28(44-30(39)23-12-8-5-9-13-23)20-26-31(2)15-14-25(36)18-24(31)19-27(37)35(26,34)42/h4-13,19,21,25-28,36-37,40-42H,14-18,20H2,1-3H3",CC(OC(=O)c1ccccc1)C1(O)CCC2(O)C3(O)C(O)C=C4CC(O)CCC4(C)C3CC(OC(=O)c3ccccc3)C12C,C35H42O9,,606.282882924,IUXDXOFLHJPUBQ,Terpenoids,Steroids,Pregnane steroids,Cynanchum japonicum,676264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Gentianales'],['Apocynaceae'],['Asclepiadeae'],['Vincetoxicum'],['Vincetoxicum japonicum'],4,0,5.588147521018982
9976,1082,806,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,0.8642372,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,3,11.95694875717163
9977,1082,806,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,0.8642372,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,3,11.95694875717163
9978,1080,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KTHADMDGDNYQRX-UHFFFAOYSA-N,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",COC(=O)Cc1c[nH]c2ccccc12,C11H11NO2,pos_1_1proton1methanol,189.078978592,KTHADMDGDNYQRX,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Ricinus communis,339346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Ricinus'],['Ricinus communis'],6,1,6.5
9979,1080,576,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KMAKOBLIOCQGJP-UHFFFAOYSA-N,"InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)",O=C(O)c1c[nH]c2ccccc12,C9H7NO2,pos_1_1proton1isopropanol,161.047678464,KMAKOBLIOCQGJP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],6,1,6.5
9980,1079,967,Alkaloids,,,0.6707805,ISDB,LEHOTFFKMJEONL-UHFFFAOYSA-N,"InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)",Oc1nc(O)c2nc(O)[nH]c2n1,C5H4N4O3,,168.028339988,LEHOTFFKMJEONL,Alkaloids,,,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,1,7.183121919631958
9981,1075,313,Carbohydrates,Saccharides,Disaccharides,0.3041815,ISDB,SHZGCJCMOBCMKK-JFNONXLTSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1",C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Plantago maritima,236705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago maritima'],6,3,8.716725945472717
9982,1073,-1,,,,0.0,MS1_match,YCCIEQLSDVGOIO-ULKRLTICSA-N,"InChI=1S/C31H46O5/c1-17-13-31(19(3)18(2)15-35-31)36-20-14-27(5)21-7-8-22-28(6,25(33)34)23(32)9-10-29(22)16-30(21,29)12-11-26(27,4)24(17)20/h17-18,20-24,32H,3,7-16H2,1-2,4-6H3,(H,33,34)/t17-,18?,20+,21+,22+,23+,24+,26-,27+,28+,29-,30+,31-/m1/s1",C=C1C(C)CO[C@@]12C[C@@H](C)[C@H]1[C@H](C[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)CC[C@@]56C[C@@]46CC[C@]13C)O2,C31H46O5,pos_1_minus1proton1iron,498.334524572,YCCIEQLSDVGOIO,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Neoboutonia melleri,3913248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Neoboutonia'],['Neoboutonia melleri'],6,0,6.0
9983,1073,-1,,,,0.0,MS1_match,UQKMLMDVZLCOFZ-UHFFFAOYSA-N,"InChI=1S/C30H34O5/c1-19(2)7-6-8-20(3)9-15-23-27(33)24-17-18-30(4,5)35-29(24)26(28(23)34)25(32)16-12-21-10-13-22(31)14-11-21/h7,9-14,16-18,31,33-34H,6,8,15H2,1-5H3",CC(C)=CCCC(C)=CCc1c(O)c2c(c(C(=O)C=Cc3ccc(O)cc3)c1O)OC(C)(C)C=C2,C30H34O5,pos_1_1proton1dmso,474.240624188,UQKMLMDVZLCOFZ,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,0,6.0
9984,1069,758,,,,0.27946636,ISDB,,,,,,,JYGCFKIEXRCHGG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1178654432296753
9985,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Pisum,825832.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Pisum'],['Unknown'],1,2,5.224876642227173
9986,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],1,2,5.224876642227173
9987,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],1,2,5.224876642227173
9988,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Ricinus communis,339346.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Ricinus'],['Ricinus communis'],1,2,5.224876642227173
9989,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],1,2,5.224876642227173
9990,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],1,2,5.224876642227173
9991,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],1,2,5.224876642227173
9992,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],1,2,5.224876642227173
9993,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Lathyrus hirsutus,726524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Fabeae'],['Lathyrus'],['Lathyrus hirsutus'],1,2,5.224876642227173
9994,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Arachis hypogaea,39541.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Dalbergieae'],['Arachis'],['Arachis hypogaea'],1,2,5.224876642227173
9995,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Abelmoschus esculentus,514975.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Abelmoschus'],['Abelmoschus esculentus'],1,2,5.224876642227173
9996,1065,332,Fatty acids,Fatty amides,Piperidine alkaloids,0.80621916,ISDB,KQXDGUVSAAQARU-HZJYTTRNSA-N,"InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-",CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCO,C20H37NO2,,323.282429424,KQXDGUVSAAQARU,Fatty acids,Fatty amides,N-acyl ethanolamines (endocannabinoids),Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],1,2,5.224876642227173
9997,1064,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,DTEIMVRBDJBZAX-JAWKVFOISA-N,"InChI=1S/C37H43NO9/c1-22-15-16-36(6,7)31(41)19-30(45-35(43)28-14-11-17-38-21-28)23(2)18-29-32(46-34(42)27-12-9-8-10-13-27)24(3)20-37(29,47-26(5)40)33(22)44-25(4)39/h8-18,21-22,24,29-30,32-33H,19-20H2,1-7H3/b16-15+,23-18+/t22-,24-,29+,30-,32+,33-,37-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2cccnc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C37H43NO9,pos_1_1proton,645.293781956,DTEIMVRBDJBZAX,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,3,8.5
9998,1063,762,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,0.0,MS1_match,OGLDWXZKYODSOB-UHFFFAOYSA-N,"InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3",CC1=CCC(C(C)C)C=C1,C10H16,pos_1_1proton1ammonium,136.125200512,OGLDWXZKYODSOB,Terpenoids,Monoterpenoids,Monocyclic monoterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
9999,1061,74,Amino acids and Peptides,Small peptides,Aminoacids,0.6912273,ISDB,PPQRSMGDOHLTBE-UWVGGRQHSA-N,"InChI=1S/C12H16N2O4/c13-9(7-15)11(16)14-10(12(17)18)6-8-4-2-1-3-5-8/h1-5,9-10,15H,6-7,13H2,(H,14,16)(H,17,18)/t9-,10-/m0/s1",N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)O,C12H16N2O4,,252.111006992,PPQRSMGDOHLTBE,Amino acids and Peptides,Small peptides,Dipeptides,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,2,7.764909267425537
10000,1059,-1,,,,0.61595905,ISDB,CIOUQKGNHMSZRR-GOSISDBHSA-N,"InChI=1S/C19H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h7-8,10-11,18,20H,3-6,9,12-17H2,1-2H3/t18-/m1/s1",CCCCCC=CCC=CCCCCCC[C@@H](O)C(=O)OC,C19H34O3,,310.250794948,CIOUQKGNHMSZRR,,,,Salvia nilotica,861976.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia nilotica'],1,0,3.463836193084717
10001,1058,-1,,,,0.25054306,ISDB,QFAJOILVRWFPQA-UHFFFAOYSA-N,"InChI=1S/C22H32O5/c1-12-14-7-6-9-21(3,4)16(14)8-10-22(12,5)18-15-11-17(24)26-20(18)27-19(15)25-13(2)23/h12,15,18-20H,6-11H2,1-5H3",CC(=O)OC1OC2OC(=O)CC1C2C1(C)CCC2=C(CCCC2(C)C)C1C,C22H32O5,,376.224974124,QFAJOILVRWFPQA,Terpenoids,Diterpenoids,Spongiane diterpenoids,Goniobranchus annulatus,2875422.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Chromodorididae'],['Unknown'],['Goniobranchus'],['Goniobranchus annulatus'],4,0,5.002172231674194
10002,1057,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HWXBTNAVRSUOJR-GSVOUGTGSA-N,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",O=C(O)CC[C@@H](O)C(=O)O,C5H8O5,pos_2MHNH3,148.037173356,HWXBTNAVRSUOJR,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],7,0,7.0
10003,1057,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,OCIAPZWBJQRATB-UALZLMCPSA-N,"InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(20-4)19-3(9(17)18)1-5(12)13/h3-4,6-8,10-11,14-16H,1-2H2,(H,12,13)(H,17,18)/t3-,4+,6+,7-,8+,10+/m0/s1",O=C(O)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C10H16O10,pos_1_1proton1ammonium,296.074346712,OCIAPZWBJQRATB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Euphorbia pereskiifolia,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
10004,1055,551,Terpenoids,Diterpenoids,Neolignans,0.50247324,ISDB,TZAXQHDIMDQXRD-YJQAKTFBSA-N,"InChI=1S/C19H22O5/c1-4-9-18-10-5-6-16(21)19(18,22)24-17(12(18)2)13-7-8-14(20)15(11-13)23-3/h4-8,11-12,17,20,22H,1,9-10H2,2-3H3/t12-,17+,18-,19-/m1/s1",C=CC[C@]12CC=CC(=O)[C@@]1(O)O[C@H](c1ccc(O)c(OC)c1)[C@H]2C,C19H22O5,,330.146723804,TZAXQHDIMDQXRD,Shikimates and Phenylpropanoids,Lignans,Neolignans,Aniba ferrea,6025335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba ferrea'],4,3,7.50989294052124
10005,1050,-1,,,,0.0,MS1_match,BRVXVMOWTHQKHC-HIAHFQITSA-N,"InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+",CC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C,C33H44O9,pos_1_1sodium,584.2985329879998,BRVXVMOWTHQKHC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
10006,1050,-1,,,,0.0,MS1_match,SRIOEYUPZINFMH-IUNSSGNUSA-N,"InChI=1S/C33H44O9/c1-18-13-33(38)25(26(18)39-16-22-11-9-8-10-12-22)28(41-20(3)35)32(17-40-19(2)34)14-23-24(15-30(5,6)27(23)37)31(32,7)29(33)42-21(4)36/h8-12,18,23-26,28-29,38H,13-17H2,1-7H3/t18-,23+,24+,25+,26-,28+,29+,31+,32+,33+/m0/s1",CC(=O)OC[C@@]12C[C@H]3C(=O)C(C)(C)C[C@H]3[C@]1(C)[C@@H](OC(C)=O)[C@@]1(O)C[C@H](C)[C@H](OCc3ccccc3)[C@@H]1[C@H]2OC(C)=O,C33H44O9,pos_1_1sodium,584.298532988,SRIOEYUPZINFMH,Terpenoids,Diterpenoids,Paraliane diterpenoids,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
10007,1048,-1,,,,0.22410949,ISDB,JLHBPOUWGMGEPC-DIGZUXTDSA-N,"InChI=1S/C22H30O4/c1-12-15-10-14-6-7-18-21(3,4)19(25-13(2)23)8-9-22(18,5)16(14)11-17(15)26-20(12)24/h10,16-19H,6-9,11H2,1-5H3/t16-,17-,18-,19+,22+/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4C=C3CC[C@@H]2C1(C)C,C22H30O4,,358.21440944,JLHBPOUWGMGEPC,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,0,8.89643794298172
10008,1047,-1,,,,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
10009,1047,-1,,,,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
10010,1045,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SWJWADJRDWMJQJ-INZIAJHOSA-N,"InChI=1S/C36H36O19/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-29(46)30(47)34(55-35-31(48)28(45)22(43)12-51-35)36(53-25)54-32-21(42)10-19(40)27-20(41)11-23(52-33(27)32)15-4-6-16(37)18(39)9-15/h2-11,22,25,28-31,34-40,42-43,45-48H,12-13H2,1H3/b7-3+/t22-,25-,28+,29-,30+,31-,34-,35+,36+/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O,C36H36O19,pos_1_1proton,772.1850789320001,SWJWADJRDWMJQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Setaria italica,553005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Setaria'],['Setaria italica'],6,3,7.5
10011,1044,-1,,,,0.5396792,ISDB,,,,,,,RFTWGTNWFRSBHI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.158716917037964
10012,1041,706,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.64076006,ISDB,JYLMHTHQKBETEO-UHFFFAOYSA-N,"InChI=1S/C16H18O5/c1-7(2)11-9-5-8(3)16(21-4)15(20)12(9)10(6-17)13(18)14(11)19/h5-7,18-20H,1-4H3",COc1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,C16H18O5,,290.115423676,JYLMHTHQKBETEO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium raimondii,79347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium raimondii'],6,3,10.063040256500244
10013,1037,-1,,,,0.0,MS1_match,ZIDPMOJLGOVEHH-LBYDUXNVSA-N,"InChI=1S/C29H44O5/c1-17(16-30)6-9-25(33)18(2)27-26(34-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h14,17-18,22-24,26-27,30H,6-13,15-16H2,1-5H3/t17?,18-,22-,23+,24+,26-,27+,28+,29+/m1/s1",CC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)C(=O)CCC(C)CO,C29H44O5,pos_1_minus1proton1iron,472.318874508,ZIDPMOJLGOVEHH,Terpenoids,Steroids,Cholestane steroids,Solanum nudum,311886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aphyodendron'],8,0,8.0
10014,1037,-1,,,,0.0,MS1_match,LHLXRPHIRHMTFQ-YWHRRUEGSA-N,"InChI=1S/C29H44O5/c1-16-6-11-29(32-15-16)17(2)26-25(34-29)14-22-20-13-24(31)23-12-19(33-18(3)30)7-9-27(23,4)21(20)8-10-28(22,26)5/h16-17,19-23,25-26H,6-15H2,1-5H3/t16-,17+,19+,20-,21+,22+,23-,25+,26+,27-,28+,29-/m1/s1",CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]3[C@H](C[C@@H]12)O[C@]1(CC[C@@H](C)CO1)[C@H]3C,C29H44O5,pos_1_minus1proton1iron,472.318874508,LHLXRPHIRHMTFQ,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,0,8.0
10015,1036,-1,,,,0.0,MS1_match,SQUGWQLBJZPYLB-URUZQALBSA-N,"InChI=1S/C19H24O9/c1-8-4-12(27-17(22)9(2)6-20)14-10(3)18(23)28-16(14)15-11(8)5-13(21)19(15,24)7-26-25/h11-16,20-21,24-25H,1-7H2/t11-,12-,13-,14+,15-,16-,19+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(COO)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H24O9,pos_1_1proton1isopropanol,396.142032348,SQUGWQLBJZPYLB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,0,7.0
10016,1036,-1,,,,0.0,MS1_match,ZPCBYJQZZRLGIS-QQHVDITLSA-N,"InChI=1S/C22H32O10/c1-3-4-5-6-7-8-9-10-11-29-21-20(28)18(26)16(24)14(32-21)12-30-22-19(27)17(25)15(23)13(2)31-22/h3-4,13-28H,9-12H2,1-2H3/b4-3+/t13-,14+,15-,16+,17+,18-,19+,20+,21+,22+/m0/s1",C/C=C/C#CC#CCCCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C22H32O10,pos_1_1proton,456.1995472239998,ZPCBYJQZZRLGIS,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,0,7.0
10017,1033,-1,,,,0.0,MS1_match,FIVUMFLXOMYKSM-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-11-16(23)6-7-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)",O=C(C=Cc1ccc(O)cc1)NCCc1c[nH]c2cc(O)ccc12,C19H18N2O3,pos_2MH,322.131742436,FIVUMFLXOMYKSM,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
10018,1033,-1,,,,0.0,MS1_match,FIVUMFLXOMYKSM-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-11-16(23)6-7-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)",O=C(C=Cc1ccc(O)cc1)NCCc1c[nH]c2cc(O)ccc12,C19H18N2O3,pos_2MH,322.131742436,FIVUMFLXOMYKSM,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Oryza aristata,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
10019,1033,-1,,,,0.0,MS1_match,WLZPAFGVOWCVMG-UHFFFAOYSA-N,"InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)",O=C(C=Cc1ccc(O)cc1)NCCc1c[nH]c2ccc(O)cc12,C19H18N2O3,pos_2MH,322.131742436,WLZPAFGVOWCVMG,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Echinochloa esculenta,445246.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Echinochloa'],['Echinochloa esculenta'],6,0,6.0
10020,1029,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
10021,1029,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ammonium,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
10022,1029,-1,,,,0.0,MS1_match,OIIPKPGYINLROG-ZQOQDGPXSA-N,"InChI=1S/C17H24O9/c1-7-10(4-9(6-24-3)12(8(2)19)13(7)20)25-17-16(23)15(22)14(21)11(5-18)26-17/h4,11,14-18,20-23H,5-6H2,1-3H3/t11-,14-,15+,16-,17-/m1/s1",COCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)c(O)c1C(C)=O,C17H24O9,pos_1_1proton1ammonium,372.142032348,OIIPKPGYINLROG,Polyketides,,,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],7,0,7.0
10023,1027,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ZOQCEVXVQCPESC-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3",CCOC(=O)C=Cc1ccc(O)cc1,C11H12O3,pos_1_1proton,192.078644244,ZOQCEVXVQCPESC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],7,1,7.5
10024,1027,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FXMGSXNQELBPMX-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-3-2-4-9-8(7)5-6-10(11)12-9/h2-6H,1H3",Cc1cccc2oc(=O)ccc12,C10H8O2,pos_1_1proton1methanol,160.052429496,FXMGSXNQELBPMX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Vernonia leopoldi,7052681.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Vernonieae'],['Vernonia'],['Vernonia leopoldi'],6,3,7.5
10025,1027,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FXMGSXNQELBPMX-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-3-2-4-9-8(7)5-6-10(11)12-9/h2-6H,1H3",Cc1cccc2oc(=O)ccc12,C10H8O2,pos_1_1proton1methanol,160.052429496,FXMGSXNQELBPMX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Nassauvia pyramidalis,894974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Nassauvia'],['Nassauvia pyramidalis'],6,3,7.5
10026,1027,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,FXMGSXNQELBPMX-UHFFFAOYSA-N,"InChI=1S/C10H8O2/c1-7-3-2-4-9-8(7)5-6-10(11)12-9/h2-6H,1H3",Cc1cccc2oc(=O)ccc12,C10H8O2,pos_1_1proton1methanol,160.052429496,FXMGSXNQELBPMX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Chaptalia nutans,43462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Mutisieae'],['Chaptalia'],['Chaptalia nutans'],6,3,7.5
10027,1026,-1,,,,0.0,MS1_match,YIFCZJZMXRCLLG-FSAOVCISSA-N,"InChI=1S/C21H18O13/c22-6-2-1-5(3-7(6)23)9-4-8(24)10-12(25)15(28)13(26)11(19(10)33-9)14(27)20-17(30)16(29)18(31)21(32)34-20/h1-4,16-18,20-23,25-26,28-32H/t16-,17-,18+,20+,21+/m0/s1",O=C(c1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.074740636,YIFCZJZMXRCLLG,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
10028,1026,-1,,,,0.0,MS1_match,FYOBETQRHQTVQK-UHZRXMQZSA-N,"InChI=1S/C21H18O13/c22-7-2-1-6(3-8(7)23)10-4-9(24)13-11(32-10)5-12(14(25)15(13)26)33-21(31)19-17(28)16(27)18(29)20(30)34-19/h1-5,16-20,22-23,25-30H/t16-,17-,18+,19-,20+/m0/s1",O=C(Oc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c(O)c1O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O,C21H18O13,pos_1_1proton,478.074740636,FYOBETQRHQTVQK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
10029,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-LJQANCHMSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/t19-/m1/s1",CC=CC#CC#CC=CC=CC[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.151809184,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
10030,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-HPYNDUAGSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/b5-4+,11-10+,13-12+/t19-/m1/s1",C/C=C/C#CC#C/C=C/C=C/C[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.15180918399994,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea deusta,720460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deusta'],7,0,7.0
10031,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-HPYNDUAGSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/b5-4+,11-10+,13-12+/t19-/m1/s1",C/C=C/C#CC#C/C=C/C=C/C[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.15180918399994,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],7,0,7.0
10032,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-LJQANCHMSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/t19-/m1/s1",CC=CC#CC#CC=CC=CC[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.151809184,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
10033,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-LJQANCHMSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/t19-/m1/s1",CC=CC#CC#CC=CC=CC[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.151809184,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,0,7.0
10034,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-HPYNDUAGSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/b5-4+,11-10+,13-12+/t19-/m1/s1",C/C=C/C#CC#C/C=C/C=C/C[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.15180918399994,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea deusta,720460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deusta'],7,0,7.0
10035,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-HPYNDUAGSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/b5-4+,11-10+,13-12+/t19-/m1/s1",C/C=C/C#CC#C/C=C/C=C/C[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.15180918399994,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],7,0,7.0
10036,1025,-1,,,,0.0,MS1_match,VFLBRKFVSDXIMN-LJQANCHMSA-N,"InChI=1S/C19H22O4/c1-4-5-6-7-8-9-10-11-12-13-14-19(23-18(3)21)15-16-22-17(2)20/h4-5,10-13,19H,14-16H2,1-3H3/t19-/m1/s1",CC=CC#CC#CC=CC=CC[C@H](CCOC(C)=O)OC(C)=O,C19H22O4,pos_1_1proton1acetonitrile,314.151809184,VFLBRKFVSDXIMN,Fatty acids,Fatty esters,Wax monoesters,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
10037,1025,-1,,,,0.0,MS1_match,CGGOVQNIIKDZDC-SMLCLMEVSA-N,"InChI=1S/C19H22O4/c1-9(2)18(20)22-14-8-11(4)13-7-6-10(3)15(13)17-16(14)12(5)19(21)23-17/h13-17H,1,3-8H2,2H3/t13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O4,pos_1_1proton1acetonitrile,314.151809184,CGGOVQNIIKDZDC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
10038,1025,-1,,,,0.0,MS1_match,CGGOVQNIIKDZDC-SMLCLMEVSA-N,"InChI=1S/C19H22O4/c1-9(2)18(20)22-14-8-11(4)13-7-6-10(3)15(13)17-16(14)12(5)19(21)23-17/h13-17H,1,3-8H2,2H3/t13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O4,pos_1_1proton1acetonitrile,314.151809184,CGGOVQNIIKDZDC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
10039,1025,-1,,,,0.0,MS1_match,CGGOVQNIIKDZDC-SMLCLMEVSA-N,"InChI=1S/C19H22O4/c1-9(2)18(20)22-14-8-11(4)13-7-6-10(3)15(13)17-16(14)12(5)19(21)23-17/h13-17H,1,3-8H2,2H3/t13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O4,pos_1_1proton1acetonitrile,314.151809184,CGGOVQNIIKDZDC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
10040,1024,723,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,FAARLWTXUUQFSN-UHFFFAOYSA-N,"InChI=1S/C15H8O8/c1-21-11-7(17)3-5-9-8-4(15(20)23-13(9)11)2-6(16)10(18)12(8)22-14(5)19/h2-3,16-18H,1H3",COc1c(O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c34,C15H8O8,pos_1_1proton,316.021917216,FAARLWTXUUQFSN,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,3,9.5
10041,1023,180,Fatty acids,Fatty Acids and Conjugates,Eudesmane sesquiterpenoids,0.30194163,ISDB,GENYSLRBRFXSJH-UVPYHEFZSA-N,"InChI=1S/C16H25N/c1-11(2)13-8-10-16(4)9-6-7-12(3)14(16)15(13)17-5/h12-15H,1,6-10H2,2-4H3/t12-,13-,14-,15-,16+/m0/s1",[C-]#[N+][C@@H]1[C@@H]2[C@@H](C)CCC[C@]2(C)CC[C@H]1C(=C)C,C16H25N,,231.1986998,GENYSLRBRFXSJH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Acanthella acuta,215114.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Acanthella'],['Acanthella acuta'],2,3,4.707766532897949
10042,1023,180,Fatty acids,Fatty Acids and Conjugates,Eudesmane sesquiterpenoids,0.30194163,ISDB,GENYSLRBRFXSJH-DGADGQDISA-N,"InChI=1S/C16H25N/c1-11(2)13-8-10-16(4)9-6-7-12(3)14(16)15(13)17-5/h12-15H,1,6-10H2,2-4H3/t12-,13+,14-,15+,16-/m1/s1",[C-]#[N+][C@@H]1[C@H]2[C@H](C)CCC[C@]2(C)CC[C@H]1C(=C)C,C16H25N,,231.1986998,GENYSLRBRFXSJH,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Axinella cannabina,153546.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Axinellida'],['Axinellidae'],['Unknown'],['Axinella'],['Axinella cannabina'],2,3,4.707766532897949
10043,1022,83,Fatty acids,Glycerophospholipids,Glycerophosphoethanolamines,0.6469039,ISDB,PESDJELQYIQZBG-RMQQFATJSA-N,"InChI=1S/C21H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20(22)21(23)24-19/h9-10,19-20,22H,2-8,11-18H2,1H3/b10-9+/t19-,20-/m1/s1",CCCCCCCC/C=C/CCCCCCC[C@@H]1C[C@@H](O)C(=O)O1,C21H38O3,,338.282095076,PESDJELQYIQZBG,Polyketides,,,Garcinia mannii,155007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Clusiaceae'],['Garcinieae'],['Garcinia'],['Garcinia mannii'],0,0,2.587615489959717
10044,1021,68,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.76373893,ISDB,SKOJWJADWCAPSY-FGZHOGPDSA-N,"InChI=1S/C23H48NO7P/c1-20(2)14-12-10-8-7-9-11-13-15-21(3)23(26)29-18-22(25)19-31-32(27,28)30-17-16-24(4,5)6/h20-22,25H,7-19H2,1-6H3/t21-,22-/m1/s1",CC(C)CCCCCCCCC[C@@H](C)C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C23H48NO7P,,481.316839506,SKOJWJADWCAPSY,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Stelletta,662723.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Ancorinidae'],['Unknown'],['Stelletta'],['Unknown'],0,3,4.554955720901489
10045,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Helianthella quinquenervis,464955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthella'],['Helianthella quinquenervis'],6,3,8.752711296081543
10046,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Baccharis quitensis,7600145.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis quitensis'],6,3,8.752711296081543
10047,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Baccharis concinna,6056118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis concinna'],6,3,8.752711296081543
10048,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Helianthus hirsutus,1020858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus hirsutus'],6,3,8.752711296081543
10049,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Madia sativa,859745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Madia'],['Madia sativa'],6,3,8.752711296081543
10050,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina glechonophylla,1007561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina glechonophylla'],6,3,8.752711296081543
10051,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Helianthella uniflora,1010688.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthella'],['Helianthella uniflora'],6,3,8.752711296081543
10052,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Hemizonia congesta,1042853.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Hemizonia'],['Hemizonia congesta'],6,3,8.752711296081543
10053,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina adenophora,1007563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina adenophora'],6,3,8.752711296081543
10054,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Baccharis santelicis,5794721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis santelicis'],6,3,8.752711296081543
10055,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Tithonia diversifolia,32107.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Tithonia'],['Tithonia diversifolia'],6,3,8.752711296081543
10056,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Arnica amplexicaulis,5541644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica amplexicaulis'],6,3,8.752711296081543
10057,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratina altissima,345514.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratina'],['Ageratina altissima'],6,3,8.752711296081543
10058,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],6,3,8.752711296081543
10059,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Viguiera pazensis,1032191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Viguiera'],['Viguiera pazensis'],6,3,8.752711296081543
10060,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Baccharis calvescens,7599875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis calvescens'],6,3,8.752711296081543
10061,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Stomatanthes corumbensis,5739767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stomatanthes'],['Stomatanthes corumbensis'],6,3,8.752711296081543
10062,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Arnica lessingii,942732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Arnica'],['Arnica lessingii'],6,3,8.752711296081543
10063,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Xanthium pungens,7051609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium pungens'],6,3,8.752711296081543
10064,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Xanthium strumarium,709045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium strumarium'],6,3,8.752711296081543
10065,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Baccharis linearis,7600010.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis linearis'],6,3,8.752711296081543
10066,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Leucoblepharis subsessilis,7051229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Athroismeae'],['Leucoblepharis'],['Leucoblepharis subsessilis'],6,3,8.752711296081543
10067,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Ageratum conyzoides,885278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Ageratum'],['Ageratum conyzoides'],6,3,8.752711296081543
10068,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Calea pilosa,7606941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea pilosa'],6,3,8.752711296081543
10069,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Xanthium chinense,709045.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Xanthium'],['Xanthium strumarium'],6,3,8.752711296081543
10070,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Calea morii,7606916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea morii'],6,3,8.752711296081543
10071,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Trichogonia salviifolia,5739079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Trichogonia'],['Trichogonia salviifolia'],6,3,8.752711296081543
10072,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Calea hispida,7606881.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea hispida'],6,3,8.752711296081543
10073,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Calea triantha,7606980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Neurolaeneae'],['Calea'],['Calea triantha'],6,3,8.752711296081543
10074,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Bejaranoa semistriata,5920807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Bejaranoa'],['Bejaranoa semistriata'],6,3,8.752711296081543
10075,1020,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.31317782,ISDB,ZAJTXVHECZCXLH-UHFFFAOYSA-N,"InChI=1S/C13H14O2/c1-9(14)10-4-5-12-11(8-10)6-7-13(2,3)15-12/h4-8H,1-3H3",CC(=O)c1ccc2c(c1)C=CC(C)(C)O2,C13H14O2,,202.099379688,ZAJTXVHECZCXLH,Terpenoids,Meroterpenoids,Merohemiterpenoids,Centromadia fitchii,3899669.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Madieae'],['Centromadia'],['Centromadia fitchii'],6,3,8.752711296081543
10076,1019,-1,,,,0.6282223,ISDB,MWEHWEZBGQUQSJ-PXNSSMCTSA-N,"InChI=1S/C20H26O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17,21H,1,7-10H2,2-5H3/t17-,20-/m0/s1",C=Cc1c(C)c(O)cc2c1CC[C@H]1C(C)(C)C(=O)CC[C@@]21C,C20H26O2,,298.193280072,MWEHWEZBGQUQSJ,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],6,0,8.51288914680481
10077,1019,-1,,,,0.6282223,ISDB,MWEHWEZBGQUQSJ-XLIONFOSSA-N,"InChI=1S/C20H26O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17,21H,1,7-10H2,2-5H3/t17-,20+/m1/s1",C=Cc1c(C)c(O)cc2c1CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C,C20H26O2,,298.193280072,MWEHWEZBGQUQSJ,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Croton insularis,370197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton insularis'],6,0,8.51288914680481
10078,1019,-1,,,,0.6282223,ISDB,MWEHWEZBGQUQSJ-XLIONFOSSA-N,"InChI=1S/C20H26O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17,21H,1,7-10H2,2-5H3/t17-,20+/m1/s1",C=Cc1c(C)c(O)cc2c1CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C,C20H26O2,,298.193280072,MWEHWEZBGQUQSJ,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Croton moritibensis,528090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton heliotropiifolius'],6,0,8.51288914680481
10079,1019,-1,,,,0.6282223,ISDB,MWEHWEZBGQUQSJ-XLIONFOSSA-N,"InChI=1S/C20H26O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17,21H,1,7-10H2,2-5H3/t17-,20+/m1/s1",C=Cc1c(C)c(O)cc2c1CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C,C20H26O2,,298.193280072,MWEHWEZBGQUQSJ,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Croton heliotropiifolius,528090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton heliotropiifolius'],6,0,8.51288914680481
10080,1019,-1,,,,0.6282223,ISDB,MWEHWEZBGQUQSJ-XLIONFOSSA-N,"InChI=1S/C20H26O2/c1-6-13-12(2)16(21)11-15-14(13)7-8-17-19(3,4)18(22)9-10-20(15,17)5/h6,11,17,21H,1,7-10H2,2-5H3/t17-,20+/m1/s1",C=Cc1c(C)c(O)cc2c1CC[C@@H]1C(C)(C)C(=O)CC[C@@]21C,C20H26O2,,298.193280072,MWEHWEZBGQUQSJ,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Croton salutaris,464300.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton salutaris'],6,0,8.51288914680481
10081,1018,-1,,,,0.46074834,ISDB,XNYPADCVPUHEKE-RCUJSYDTSA-N,"InChI=1S/C20H28O2/c1-5-17(2)8-9-18(3)13(11-17)6-7-20(22)16(18)10-15(21)14-12-19(14,20)4/h5,10,13-14,22H,1,6-9,11-12H2,2-4H3/t13-,14+,17-,18-,19+,20+/m1/s1",C=C[C@]1(C)CC[C@@]2(C)C3=CC(=O)[C@@H]4C[C@]4(C)[C@]3(O)CC[C@@H]2C1,C20H28O2,,300.208930136,XNYPADCVPUHEKE,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,9.842993378639221
10082,1016,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KLXHCGFNNUQTEY-UHFFFAOYSA-N,"InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3",COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1,C13H16O5,pos_1_1proton2acetonitrile,252.099773612,KLXHCGFNNUQTEY,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aragoa lucidula,5783470.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Aragoa'],['Aragoa lucidula'],6,3,7.5
10083,1015,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,QZRKNNXRNBTODR-YQALUOGVSA-N,"InChI=1S/C14H20N2O9/c1-16-8(18)3-7(23-2)14(5-15,13(16)22)25-12-11(21)10(20)9(19)6(4-17)24-12/h3,6,9-13,17,19-22H,4H2,1-2H3/t6-,9-,10+,11-,12+,13-,14-/m1/s1",COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C14H20N2O9,pos_2_1proton1potassium,360.11688022,QZRKNNXRNBTODR,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Acalypha indica,3910628.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Acalypha'],['Acalypha indica'],6,0,6.0
10084,1014,-1,,,,0.42195317,ISDB,AVQIAPJJWFUCIT-VOTSOKGWSA-N,"InChI=1S/C13H18O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,9H,4-5,8H2,1-3H3/b7-6+",CC1=C(/C=C/C(=O)C=O)C(C)(C)CCC1,C13H18O2,,206.130679816,AVQIAPJJWFUCIT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca rubra,202297.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca rubra'],5,0,6.687812685966492
10085,1014,-1,,,,0.42195317,ISDB,AVQIAPJJWFUCIT-VOTSOKGWSA-N,"InChI=1S/C13H18O2/c1-10-5-4-8-13(2,3)12(10)7-6-11(15)9-14/h6-7,9H,4-5,8H2,1-3H3/b7-6+",CC1=C(/C=C/C(=O)C=O)C(C)(C)CCC1,C13H18O2,,206.130679816,AVQIAPJJWFUCIT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Festuca arundinacea,105576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca arundinacea'],5,0,6.687812685966492
10086,1012,-1,,,,0.55383945,ISDB,FUEOKCWSAZKORQ-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3",CC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4=O,C30H48O2,,440.365430776,FUEOKCWSAZKORQ,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,10.215357780456543
10087,1012,-1,,,,0.55383945,ISDB,FUEOKCWSAZKORQ-JEJCRBPWSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3/t21-,22+,23-,27+,28+,29-,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4=O,C30H48O2,,440.365430776,FUEOKCWSAZKORQ,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,10.215357780456543
10088,1012,-1,,,,0.55383945,ISDB,FUEOKCWSAZKORQ-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3",CC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4=O,C30H48O2,,440.365430776,FUEOKCWSAZKORQ,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Euphorbia supina,253556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia supina'],8,0,10.215357780456543
10089,1011,978,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.5881181,ISDB,NRZWYNLTFLDQQX-UHFFFAOYSA-N,"InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3",CCC(C)(C)c1ccc(O)cc1,C11H16O,,164.120115132,NRZWYNLTFLDQQX,,,,Paullinia cupana,648094.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Sapindaceae'],['Paullinieae'],['Paullinia'],['Paullinia cupana'],1,0,3.3524723052978516
10090,1011,978,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.5881181,ISDB,NRZWYNLTFLDQQX-UHFFFAOYSA-N,"InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3",CCC(C)(C)c1ccc(O)cc1,C11H16O,,164.120115132,NRZWYNLTFLDQQX,,,,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],1,0,3.3524723052978516
10091,1010,-1,,,,0.5161245,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],1,0,3.064497947692871
10092,1010,-1,,,,0.5161245,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea deusta,720460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deusta'],1,0,3.064497947692871
10093,1010,-1,,,,0.5161245,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],1,0,3.064497947692871
10094,1010,-1,,,,0.5161245,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],1,0,3.064497947692871
10095,1010,-1,,,,0.5161245,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],1,0,3.064497947692871
10096,1010,-1,,,,0.5161245,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],1,0,3.064497947692871
10097,1008,-1,,,,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_minus1proton2sodium,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
10098,1008,-1,,,,0.0,MS1_match,QWCNQXNAFCBLLV-DLBZAZTESA-N,"InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/t16-,17+/m0/s1",C=C[C@H](O)C#CC#C[C@H](O)C=CCCCCCCC,C17H24O2,pos_1_minus1proton2sodium,260.177630008,QWCNQXNAFCBLLV,Fatty acids,Fatty acyls,Fatty alcohols,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
10099,1008,-1,,,,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
10100,1008,-1,,,,0.0,MS1_match,ATJVZXXHKSYELS-FNORWQNLSA-N,"InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+",CCOC(=O)/C=C/c1ccc(O)c(OC)c1,C12H14O4,pos_1_1proton2acetonitrile,222.089208928,ATJVZXXHKSYELS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,0,8.0
10101,1007,-1,,,,0.0,MS1_match,DGHGHNRVQFJSGO-XBEVWBRISA-N,"InChI=1S/C30H34O18/c1-10(32)43-9-19-23(37)25(39)27(41)29(47-19)48-28-26(40)22(36)18(8-31)46-30(28)45-17-7-16-20(24(38)21(17)35)13(34)6-15(44-16)11-3-4-14(42-2)12(33)5-11/h3-7,18-19,22-23,25-31,33,35-41H,8-9H2,1-2H3/t18-,19-,22-,23-,25-,26+,27-,28-,29+,30-/m1/s1",COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@H]4O)cc3o2)cc1O,C30H34O18,pos_1_1sodium,682.174514248,DGHGHNRVQFJSGO,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica orientalis,451460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica orientalis'],7,0,7.0
10102,1006,81,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,TYFQFVWCELRYAO-UHFFFAOYSA-N,"InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)",O=C(O)CCCCCCC(=O)O,C8H14O4,pos_2MH,174.089208928,TYFQFVWCELRYAO,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
10103,1004,-1,,,,0.8057229,ISDB,VQLSPQNMGDNEMF-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-10-12-5-6-14-19(4)8-11(21)7-18(2,3)15(19)13(22)9-20(14,16(10)23)17(12)24/h11-17,21-24H,1,5-9H2,2-4H3",C=C1C2CCC3C4(C)CC(O)CC(C)(C)C4C(O)CC3(C1O)C2O,C20H32O4,,336.230059504,VQLSPQNMGDNEMF,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Pteris multifida,320707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Polypodiopsida'],['Polypodiales'],['Pteridaceae'],['Unknown'],['Pteris'],['Pteris multifida'],1,0,4.222891569137573
10104,1003,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.553874,ISDB,WWOKLCSYRUIMIE-UHFFFAOYSA-N,InChI=1S/C9H16ClN/c1-9-4-2-6-11(8-10)7-3-5-9/h1-8H2,C=C1CCCN(CCl)CCC1,C9H16ClN,,173.097127192,WWOKLCSYRUIMIE,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lotononis rostrata,1058449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Lotononis'],['Lotononis rostrata'],3,2,6.215496063232422
10105,1003,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.553874,ISDB,WWOKLCSYRUIMIE-UHFFFAOYSA-N,InChI=1S/C9H16ClN/c1-9-4-2-6-11(8-10)7-3-5-9/h1-8H2,C=C1CCCN(CCl)CCC1,C9H16ClN,,173.097127192,WWOKLCSYRUIMIE,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lotononis arenicola,3928123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Lotononis'],['Lotononis arenicola'],3,2,6.215496063232422
10106,1003,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.553874,ISDB,WWOKLCSYRUIMIE-UHFFFAOYSA-N,InChI=1S/C9H16ClN/c1-9-4-2-6-11(8-10)7-3-5-9/h1-8H2,C=C1CCCN(CCl)CCC1,C9H16ClN,,173.097127192,WWOKLCSYRUIMIE,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lotononis oxyptera,352593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Lotononis'],['Lotononis oxyptera'],3,2,6.215496063232422
10107,1003,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.553874,ISDB,WWOKLCSYRUIMIE-UHFFFAOYSA-N,InChI=1S/C9H16ClN/c1-9-4-2-6-11(8-10)7-3-5-9/h1-8H2,C=C1CCCN(CCl)CCC1,C9H16ClN,,173.097127192,WWOKLCSYRUIMIE,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lotononis perplexa,3928116.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Lotononis'],['Lotononis perplexa'],3,2,6.215496063232422
10108,1003,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.553874,ISDB,WWOKLCSYRUIMIE-UHFFFAOYSA-N,InChI=1S/C9H16ClN/c1-9-4-2-6-11(8-10)7-3-5-9/h1-8H2,C=C1CCCN(CCl)CCC1,C9H16ClN,,173.097127192,WWOKLCSYRUIMIE,Alkaloids,Lysine alkaloids,Quinolizidine alkaloids,Lotononis carnea,6095765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Crotalarieae'],['Lotononis'],['Lotononis carnea'],3,2,6.215496063232422
10109,1000,546,Shikimates and Phenylpropanoids,Isoflavonoids,Cinnamic acids and derivatives,0.6360402,ISDB,FXLOVSHXALFLKQ-UHFFFAOYSA-N,"InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3",Cc1ccc(C=O)cc1,C8H8O,,120.057514876,FXLOVSHXALFLKQ,Shikimates and Phenylpropanoids,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,1,11.044160842895508
10110,998,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.9050358,ISDB,LOUSOANLLAIPSC-KODLDCGNSA-N,"InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11?,13-,14-,15+,16-,17+,19+,20+/m1/s1",CC1C(=O)O[C@H]2C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@@H](O)[C@@H]12,C20H28O3,,316.203844756,LOUSOANLLAIPSC,Terpenoids,Diterpenoids,,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,2,12.620143175125122
10111,998,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.9050358,ISDB,LOUSOANLLAIPSC-KODLDCGNSA-N,"InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11?,13-,14-,15+,16-,17+,19+,20+/m1/s1",CC1C(=O)O[C@H]2C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@@H](O)[C@@H]12,C20H28O3,,316.203844756,LOUSOANLLAIPSC,Terpenoids,Diterpenoids,,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,2,12.620143175125122
10112,995,295,Alkaloids,Pseudoalkaloids,Terpenoid alkaloids,0.45697597,ISDB,QBCQXEYQSRWFAF-TZYAJKAJSA-N,"InChI=1S/C24H35NO2/c1-22(2)11-5-12-24(4)19(22)10-13-23(3)18-14-17(7-9-21(26)27)25-15-16(18)6-8-20(23)24/h14-15,19-20H,5-13H2,1-4H3,(H,26,27)/t19-,20-,23-,24-/m0/s1",CC1(C)CCC[C@]2(C)[C@H]3CCc4cnc(CCC(=O)O)cc4[C@]3(C)CC[C@@H]12,C24H35NO2,,369.26677936,QBCQXEYQSRWFAF,Terpenoids,Sesterterpenoids,Cheilanthane sesterterpenoids,Petrosaspongia nigra,533037.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Thorectidae'],['Unknown'],['Petrosaspongia'],['Petrosaspongia nigra'],1,0,2.8279038667678833
10113,993,-1,,,,0.5883781,ISDB,,,,,,,PQBWZZGYZJAFTD,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.3535122871398926
10114,988,193,Shikimates and Phenylpropanoids,Lignans,Isoflavones,0.0,MS1_match,PDWZFAROGANMAJ-IUSZMWJPSA-N,"InChI=1S/C21H26O6/c1-25-18-7-12(4-5-17(18)24)21-15-9-20(27-3)19(26-2)8-13(15)6-14(10-22)16(21)11-23/h4-5,7-9,14,16,21-24H,6,10-11H2,1-3H3/t14-,16-,21-/m1/s1",COc1cc([C@@H]2c3cc(OC)c(OC)cc3C[C@H](CO)[C@H]2CO)ccc1O,C21H26O6,pos_2MFe,374.172938552,PDWZFAROGANMAJ,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Scaphopetalum thonneri,583593.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Scaphopetalum'],['Scaphopetalum thonneri'],6,2,7.0
10115,987,-1,,,,0.5527153,ISDB,,,,,,,BHWSFNSRHUHRIJ,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.2108612060546875
10116,986,-1,,,,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
10117,986,-1,,,,0.0,MS1_match,LVNFIOGAAUPIPC-UHFFFAOYSA-N,"InChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3",COc1cc(C=CC(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O,C16H20O9,pos_1_1proton1ethylamine,356.11073222,LVNFIOGAAUPIPC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
10118,985,-1,,,,0.0,MS1_match,PJZPSAFJIGESKM-MWOQJDKMSA-N,"InChI=1S/C40H56O14/c1-19(42)51-24-16-37(7)26-12-11-21-22(15-23(33(49)36(21,5)6)52-34-31(48)30(47)29(46)25(18-41)53-34)39(26,9)28(45)17-38(37,8)32(24)40(10,50)27(44)13-14-35(3,4)54-20(2)43/h11,13-15,22,24-26,29-32,34,41,46-48,50H,12,16-18H2,1-10H3/b14-13+/t22-,24-,25-,26+,29-,30+,31-,32+,34-,37+,38-,39+,40+/m1/s1",CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]2(C)[C@H]1[C@@](C)(O)C(=O)/C=C/C(C)(C)OC(C)=O,C40H56O14,pos_2_1iron,760.367006472,PJZPSAFJIGESKM,Terpenoids,Triterpenoids,Cucurbitane triterpenoids,Gratiola officinalis,352702.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Gratiola'],['Gratiola officinalis'],6,0,6.0
10119,985,-1,,,,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_2_2proton,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
10120,985,-1,,,,0.0,MS1_match,FXFHFOSEURHWMO-HHTZHRADSA-N,"InChI=1S/C37H50O20/c1-16-26(42)28(44)31(47)37(53-16)57-34-32(48)36(51-11-10-18-5-8-21(49-2)20(40)12-18)55-24(15-52-35-30(46)29(45)27(43)23(14-38)54-35)33(34)56-25(41)9-6-17-4-7-19(39)22(13-17)50-3/h4-9,12-13,16,23-24,26-40,42-48H,10-11,14-15H2,1-3H3/b9-6+/t16-,23+,24+,26-,27+,28+,29-,30+,31+,32+,33+,34+,35+,36+,37-/m0/s1",COc1ccc(CCO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O,C37H50O20,pos_2_2proton,814.289544,FXFHFOSEURHWMO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
10121,982,471,Fatty acids,Sphingolipids,Sphingoid bases,0.69686395,ISDB,OTKJDMGTUTTYMP-ZWKOTPCHSA-N,"InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1",CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO,C18H39NO2,,301.298079488,OTKJDMGTUTTYMP,Fatty acids,Sphingolipids,Sphingoid bases,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],4,3,8.287455797195435
10122,981,-1,,,,0.41012332,ISDB,FUEOKCWSAZKORQ-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3",CC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4=O,C30H48O2,,440.365430776,FUEOKCWSAZKORQ,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,9.640493273735046
10123,981,-1,,,,0.41012332,ISDB,FUEOKCWSAZKORQ-UHFFFAOYSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3",CC1(C)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(O)C(C)(C)C1CC4=O,C30H48O2,,440.365430776,FUEOKCWSAZKORQ,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Euphorbia supina,253556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia supina'],8,0,9.640493273735046
10124,981,-1,,,,0.41012332,ISDB,FUEOKCWSAZKORQ-JEJCRBPWSA-N,"InChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-30(8)24-19(9-12-29(30,7)22(27)18-25)28(6)11-10-23(32)26(3,4)21(28)17-20(24)31/h21-23,32H,9-18H2,1-8H3/t21-,22+,23-,27+,28+,29-,30+/m0/s1",CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4=O,C30H48O2,,440.365430776,FUEOKCWSAZKORQ,Terpenoids,Triterpenoids,Multiflorane triterpenoids,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,9.640493273735046
10125,978,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-RMMQSMQOSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439998,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10126,978,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-RMMQSMQOSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439998,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10127,978,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MUPFEKGTMRGPLJ-RMMQSMQOSA-N,"InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+,13-,14-,15-,16+,17-,18+/m1/s1",OC[C@H]1O[C@H](OC[C@@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C18H32O16,pos_1_1proton1ammonium,504.1690349439998,MUPFEKGTMRGPLJ,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10128,977,-1,,,,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
10129,977,-1,,,,0.0,MS1_match,JFDNMLUPLXZXGV-UHFFFAOYSA-N,"InChI=1S/C18H28O9/c19-9-13-15(23)16(24)17(25)18(27-13)26-7-3-1-2-4-11-10(8-14(21)22)5-6-12(11)20/h1-2,10-11,13,15-19,23-25H,3-9H2,(H,21,22)",O=C(O)CC1CCC(=O)C1CC=CCCOC1OC(CO)C(O)C(O)C1O,C18H28O9,pos_1_1sodium,388.173332476,JFDNMLUPLXZXGV,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
10130,977,-1,,,,0.0,MS1_match,LAYQBSCEPAXXNJ-JVMZRJCASA-N,"InChI=1S/C18H28O9/c1-9(26-18-17(25)16(24)15(23)13(8-19)27-18)3-2-4-11-10(7-14(21)22)5-6-12(11)20/h2-3,9-11,13,15-19,23-25H,4-8H2,1H3,(H,21,22)/b3-2-/t9-,10-,11+,13-,15-,16+,17-,18-/m1/s1",C[C@H](/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C18H28O9,pos_1_1sodium,388.173332476,LAYQBSCEPAXXNJ,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
10131,976,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7466319,ISDB,JJTXQCMHUFFVOF-RIYZIHGNSA-N,"InChI=1S/C18H30O/c1-14(8-6-10-16(3)19)11-12-17-15(2)9-7-13-18(17,4)5/h8H,6-7,9-13H2,1-5H3/b14-8+",CC(=O)CC/C=C(\C)CCC1=C(C)CCCC1(C)C,C18H30O,,262.22966558,JJTXQCMHUFFVOF,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Diacarnus spinipoculum,644861.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Podospongiidae'],['Unknown'],['Diacarnus'],['Diacarnus spinipoculum'],2,0,4.986527681350708
10132,971,-1,,,,0.0,MS1_match,LVWCGFQTAFKQBI-DWBQKEMDSA-N,"InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1",CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C,C30H42O6,pos_1_1sodium,498.298139064,LVWCGFQTAFKQBI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
10133,971,-1,,,,0.0,MS1_match,XMXZQPNIMGCMHC-JFSCPWEMSA-N,"InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10-,13-12+/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1",CCCCC/C=C\C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C30H42O6,pos_1_1sodium,498.298139064,XMXZQPNIMGCMHC,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
10134,971,-1,,,,0.0,MS1_match,PDJLXCBLDTYKBP-URYFMOAVSA-N,"InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(31)36-17-20-15-21-24-22(28(24,4)5)14-19(3)29(27(21)34)16-18(2)25(32)30(29,35)26(20)33/h10-13,15-16,19,21-22,24-26,32-33,35H,6-9,14,17H2,1-5H3/b11-10-,13-12+/t19-,21+,22-,24+,25+,26-,29+,30-/m1/s1",CCCCC/C=C\C=C\C(=O)OCC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C30H42O6,pos_1_1sodium,498.2981390639999,PDJLXCBLDTYKBP,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
10135,971,-1,,,,0.0,MS1_match,BMSQOSCSLGJQPZ-FUXMVPHISA-N,"InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-20(17-31)15-21-24-22(28(24,4)5)14-19(3)29(26(21)34)16-18(2)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25+,27-,29+,30-/m1/s1",CCCCC/C=C/C=C/C(=O)O[C@@H]1C(CO)=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C30H42O6,pos_1_1sodium,498.298139064,BMSQOSCSLGJQPZ,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
10136,970,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55598813,ISDB,FJOBKNMQMMKHET-DLBZAZTESA-N,"InChI=1S/C17H26O2/c1-13-6-8-15(9-7-13)17(4)11-5-10-16(17,3)12-19-14(2)18/h6,9H,5,7-8,10-12H2,1-4H3/t16-,17+/m0/s1",CC(=O)OC[C@]1(C)CCC[C@]1(C)C1=CCC(C)=CC1,C17H26O2,,262.193280072,FJOBKNMQMMKHET,Terpenoids,Sesquiterpenoids,Cuparane sesquiterpenoids,Tritonia tetraquetra,650633.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Tritoniidae'],['Unknown'],['Tritonia'],['Tritonia tetraquetra'],4,2,7.223952531814575
10137,970,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.55598813,ISDB,FJOBKNMQMMKHET-DLBZAZTESA-N,"InChI=1S/C17H26O2/c1-13-6-8-15(9-7-13)17(4)11-5-10-16(17,3)12-19-14(2)18/h6,9H,5,7-8,10-12H2,1-4H3/t16-,17+/m0/s1",CC(=O)OC[C@]1(C)CCC[C@]1(C)C1=CCC(C)=CC1,C17H26O2,,262.193280072,FJOBKNMQMMKHET,Terpenoids,Sesquiterpenoids,Cuparane sesquiterpenoids,Tochuina tetraquetra,650633.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Tritoniidae'],['Unknown'],['Tritonia'],['Tritonia tetraquetra'],4,2,7.223952531814575
10138,969,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NDAPUMLRLFELHL-UHFFFAOYSA-N,"InChI=1S/C16H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,8-11,16H,12-15H2,1H3",CC=CC#CC#CC=CC=CCCCCC=O,C16H18O,pos_1_minus1proton1calcium,226.135765196,NDAPUMLRLFELHL,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],7,0,7.0
10139,969,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NDAPUMLRLFELHL-UHFFFAOYSA-N,"InChI=1S/C16H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,8-11,16H,12-15H2,1H3",CC=CC#CC#CC=CC=CCCCCC=O,C16H18O,pos_1_minus1proton1calcium,226.135765196,NDAPUMLRLFELHL,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea angustifolia,846306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea angustifolia'],7,0,7.0
10140,969,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NDAPUMLRLFELHL-UHFFFAOYSA-N,"InChI=1S/C16H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,8-11,16H,12-15H2,1H3",CC=CC#CC#CC=CC=CCCCCC=O,C16H18O,pos_1_minus1proton1calcium,226.135765196,NDAPUMLRLFELHL,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea pullata,852757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pullata'],7,0,7.0
10141,969,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NDAPUMLRLFELHL-UHFFFAOYSA-N,"InChI=1S/C16H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,8-11,16H,12-15H2,1H3",CC=CC#CC#CC=CC=CCCCCC=O,C16H18O,pos_1_minus1proton1calcium,226.135765196,NDAPUMLRLFELHL,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea involucrata,539764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea involucrata'],7,0,7.0
10142,969,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NDAPUMLRLFELHL-MMOYHAHMSA-N,"InChI=1S/C16H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,8-11,16H,12-15H2,1H3/b3-2+,9-8+,11-10+",C/C=C/C#CC#C/C=C/C=C/CCCCC=O,C16H18O,pos_1_minus1proton1calcium,226.135765196,NDAPUMLRLFELHL,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea jacea,242075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea jacea'],7,0,7.0
10143,969,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NDAPUMLRLFELHL-UHFFFAOYSA-N,"InChI=1S/C16H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,8-11,16H,12-15H2,1H3",CC=CC#CC#CC=CC=CCCCCC=O,C16H18O,pos_1_minus1proton1calcium,226.135765196,NDAPUMLRLFELHL,Fatty acids,Fatty acyls,Fatty aldehydes,Volutaria muricata,911766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria muricata'],7,0,7.0
10144,969,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NDAPUMLRLFELHL-UHFFFAOYSA-N,"InChI=1S/C16H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-3,8-11,16H,12-15H2,1H3",CC=CC#CC#CC=CC=CCCCCC=O,C16H18O,pos_1_minus1proton1calcium,226.135765196,NDAPUMLRLFELHL,Fatty acids,Fatty acyls,Fatty aldehydes,Cyanopsis muricata,911766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria muricata'],7,0,7.0
10145,968,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.26024652,ISDB,PPPBOWXAOKXHBI-UHFFFAOYSA-N,"InChI=1S/C19H30O7/c1-10(5-6-12-11(2)13(21)7-8-19(12,3)4)25-18-17(24)16(23)15(22)14(9-20)26-18/h5-6,10,14-18,20,22-24H,7-9H2,1-4H3",CC1=C(C=CC(C)OC2OC(CO)C(O)C(O)C2O)C(C)(C)CCC1=O,C19H30O7,,370.1991533,PPPBOWXAOKXHBI,Terpenoids,Apocarotenoids,Megastigmanes,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],6,1,7.540986061096191
10146,967,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,NMVQTCAUGXWCNZ-QFIPXVFZSA-N,"InChI=1S/C30H30O8/c1-14(2)10-11-18-27(35)20(12-19-25(33)15(3)26(34)23(16(4)31)29(19)37)30-24(28(18)36)21(32)13-22(38-30)17-8-6-5-7-9-17/h5-10,22,33-37H,11-13H2,1-4H3/t22-/m0/s1",CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(CC=C(C)C)c(O)c3c2O[C@H](c2ccccc2)CC3=O)c1O,C30H30O8,pos_2_2sodium,518.19406792,NMVQTCAUGXWCNZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Mallotus philippensis,816391.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippensis'],6,2,7.0
10147,967,94,Terpenoids,Flavonoids,Disaccharides,0.0,MS1_match,NMVQTCAUGXWCNZ-UHFFFAOYSA-N,"InChI=1S/C30H30O8/c1-14(2)10-11-18-27(35)20(12-19-25(33)15(3)26(34)23(16(4)31)29(19)37)30-24(28(18)36)21(32)13-22(38-30)17-8-6-5-7-9-17/h5-10,22,33-37H,11-13H2,1-4H3",CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(CC=C(C)C)c(O)c3c2OC(c2ccccc2)CC3=O)c1O,C30H30O8,pos_2_2sodium,518.19406792,NMVQTCAUGXWCNZ,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Mallotus philippinensis,7634749.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus philippinensis'],6,2,7.0
10148,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",O=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.106434688,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia virosa,152134.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia virosa'],7,1,9.114750742912292
10149,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",O=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.106434688,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],7,1,9.114750742912292
10150,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",O=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.106434688,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],7,1,9.114750742912292
10151,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",O=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.106434688,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia seguieriana,535720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia seguieriana'],7,1,9.114750742912292
10152,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",O=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.106434688,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,1,9.114750742912292
10153,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UNZYZCBSSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21+,23+,26-,28+/m1/s1",O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.1064346879999,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia esula,864028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia esula'],7,1,9.114750742912292
10154,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UNZYZCBSSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21+,23+,26-,28+/m1/s1",O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.1064346879999,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia watanabei,3912751.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia watanabei'],7,1,9.114750742912292
10155,961,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.4036877,ISDB,PXGWEUQZDRUMRE-UNZYZCBSSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21+,23+,26-,28+/m1/s1",O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O16,,616.1064346879999,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,1,9.114750742912292
10156,957,-1,,,,0.0,MS1_match,XWGDMVNWFZRSNF-ZCYQVOJMSA-N,"InChI=1S/C26H24O10/c1-33-21-7-14(19-11-18(31)24-17(30)9-16(29)10-20(24)35-19)8-22(34-2)26(21)36-23(12-27)25(32)13-3-5-15(28)6-4-13/h3-11,23,25,27-30,32H,12H2,1-2H3/t23-,25-/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O[C@@H](CO)[C@@H](O)c1ccc(O)cc1,C26H24O10,pos_1_1sodium,496.1369469679999,XWGDMVNWFZRSNF,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
10157,956,228,Amino acids and Peptides,Small peptides,Aminoacids,0.6279619,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,3,10.011847496032715
10158,956,228,Amino acids and Peptides,Small peptides,Aminoacids,0.6279619,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],6,3,10.011847496032715
10159,956,228,Amino acids and Peptides,Small peptides,Aminoacids,0.6279619,ISDB,DCXYFEDJOCDNAF-REOHCLBHSA-N,"InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1",NC(=O)C[C@H](N)C(=O)O,C4H8N2O3,,132.053492116,DCXYFEDJOCDNAF,Amino acids and Peptides,Small peptides,Aminoacids,Bambusa vulgaris,1087322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa vulgaris'],6,3,10.011847496032715
10160,955,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8157854,ISDB,YZCAVCYYHPLAIN-RSAUJLRYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17-,19-,20-,22-,23+,24+,25+,26-,27-,28-,31+,32-,33-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](OC[C@@H]3O[C@@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H]2C)[C@H](O)[C@@H](O)[C@H]1O,C33H40O19,,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rhamnus nakaharae,3907769.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rhamnaceae'],['Rhamneae'],['Rhamnus'],['Rhamnus nakaharae'],3,3,7.763141632080078
10161,955,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8157854,ISDB,YZCAVCYYHPLAIN-UHFFFAOYSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3",CC1OC(OC2C(C)OC(OCC3OC(Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,C33H40O19,,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia valvata,279924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia valvata'],3,3,7.763141632080078
10162,955,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8157854,ISDB,YZCAVCYYHPLAIN-GNKNDYOOSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,22+,23-,24-,25+,26+,27+,28+,31+,32-,33-/m1/s1",C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@@H]3O)O[C@@H]2C)[C@@H](O)[C@@H](O)[C@@H]1O,C33H40O19,,740.2163790600001,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia arguta,686875.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia arguta'],3,3,7.763141632080078
10163,955,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8157854,ISDB,YZCAVCYYHPLAIN-GNKNDYOOSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,22+,23-,24-,25+,26+,27+,28+,31+,32-,33-/m1/s1",C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@@H]3O)O[C@@H]2C)[C@@H](O)[C@@H](O)[C@@H]1O,C33H40O19,,740.2163790600001,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia polygama,9477.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia polygama'],3,3,7.763141632080078
10164,955,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8157854,ISDB,YZCAVCYYHPLAIN-VNIVLGJPSA-N,"InChI=1S/C33H40O19/c1-10-19(37)22(40)25(43)32(47-10)51-28-11(2)48-31(27(45)24(28)42)46-9-17-20(38)23(41)26(44)33(50-17)52-30-21(39)18-15(36)7-14(35)8-16(18)49-29(30)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-20,22-28,31-38,40-45H,9H2,1-2H3/t10-,11-,17+,19-,20+,22+,23-,24-,25+,26+,27+,28+,31+,32-,33-/m1/s1",C[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H]2C)[C@@H](O)[C@@H](O)[C@@H]1O,C33H40O19,,740.21637906,YZCAVCYYHPLAIN,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Actinidia eriantha,579330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Actinidiaceae'],['Unknown'],['Actinidia'],['Actinidia eriantha'],3,3,7.763141632080078
10165,954,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.38772523,ISDB,RPYOBVFUJCZQDA-MUFCHLESSA-N,"InChI=1S/C19H21NO5/c1-24-17-11-13(3-9-16(17)22)4-10-19(23)20-12-18(25-2)14-5-7-15(21)8-6-14/h3-11,18,21-22H,12H2,1-2H3,(H,20,23)/b10-4+/t18-/m0/s1",COc1cc(/C=C/C(=O)NC[C@H](OC)c2ccc(O)cc2)ccc1O,C19H21NO5,,343.141972772,RPYOBVFUJCZQDA,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum nigrum,494831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nigrum'],8,2,10.550900936126709
10166,952,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ethylamine,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
10167,952,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ethylamine,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
10168,952,-1,,,,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ethylamine,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
10169,949,-1,,,,0.0,MS1_match,DBZRNVHEUFWTLZ-UHFFFAOYSA-N,"InChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3",C=C(C)C1(O)C2OC3(c4ccccc4)OC1C1C(O)C(C)(OC(=O)c4ccccc4)C(OC(C)=O)C4(O)C(OC(C)=O)C(C)CC4C1(O3)C2C,C38H44O12,pos_1_1proton1methanol,692.2832768479998,DBZRNVHEUFWTLZ,Terpenoids,Diterpenoids,Daphnane diterpenoids,Trigonostemon heteranthus,3914717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon longifolius'],6,0,6.0
10170,949,-1,,,,0.0,MS1_match,DBZRNVHEUFWTLZ-UHFFFAOYSA-N,"InChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3",C=C(C)C1(O)C2OC3(c4ccccc4)OC1C1C(O)C(C)(OC(=O)c4ccccc4)C(OC(C)=O)C4(O)C(OC(C)=O)C(C)CC4C1(O3)C2C,C38H44O12,pos_1_1proton1methanol,692.2832768479998,DBZRNVHEUFWTLZ,Terpenoids,Diterpenoids,Daphnane diterpenoids,Trigonostemon longifolius,3914717.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon longifolius'],6,0,6.0
10171,949,-1,,,,0.0,MS1_match,DBZRNVHEUFWTLZ-UHFFFAOYSA-N,"InChI=1S/C38H44O12/c1-19(2)35(43)30-21(4)37-26-18-20(3)29(45-22(5)39)36(26,44)33(46-23(6)40)34(7,49-32(42)24-14-10-8-11-15-24)28(41)27(37)31(35)48-38(47-30,50-37)25-16-12-9-13-17-25/h8-17,20-21,26-31,33,41,43-44H,1,18H2,2-7H3",C=C(C)C1(O)C2OC3(c4ccccc4)OC1C1C(O)C(C)(OC(=O)c4ccccc4)C(OC(C)=O)C4(O)C(OC(C)=O)C(C)CC4C1(O3)C2C,C38H44O12,pos_1_1proton1methanol,692.2832768479998,DBZRNVHEUFWTLZ,Terpenoids,Diterpenoids,Daphnane diterpenoids,Trigonostemon howii,3914645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon howii'],6,0,6.0
10172,947,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,pos_1_1proton,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10173,946,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.41819715,ISDB,KNOXUMZPTHELAO-MDZDMXLPSA-N,"InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+",O=C(/C=C/c1ccccc1)N1CCCCC1,C14H17NO,,215.131014164,KNOXUMZPTHELAO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],4,3,7.172788619995117
10174,946,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.41819715,ISDB,KNOXUMZPTHELAO-MDZDMXLPSA-N,"InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+",O=C(/C=C/c1ccccc1)N1CCCCC1,C14H17NO,,215.131014164,KNOXUMZPTHELAO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper retrofractum,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.172788619995117
10175,946,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.41819715,ISDB,KNOXUMZPTHELAO-MDZDMXLPSA-N,"InChI=1S/C14H17NO/c16-14(15-11-5-2-6-12-15)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2/b10-9+",O=C(/C=C/c1ccccc1)N1CCCCC1,C14H17NO,,215.131014164,KNOXUMZPTHELAO,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper chaba,505281.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper retrofractum'],4,3,7.172788619995117
10176,945,612,Terpenoids,Triterpenoids,Cycloartane triterpenoids,0.0,MS1_match,LPMFTVSSVYMEIF-XNOXVDSJSA-N,"InChI=1S/C26H42O2/c1-17(6-5-15-27)18-7-8-19-20-9-10-21-23(2,3)22(28)11-12-26(21)16-25(20,26)14-13-24(18,19)4/h15,17-22,28H,5-14,16H2,1-4H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-/m1/s1",C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C,C26H42O2,pos_1_minus1proton1iron,386.318480584,LPMFTVSSVYMEIF,Terpenoids,Triterpenoids,Cycloartane triterpenoids,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],7,3,8.5
10177,940,-1,,,,0.0,MS1_match,OHGOCMSNMZSHDG-HOHGHBTGSA-N,"InChI=1S/C22H22O10/c1-8-5-13(25)15-14(6-8)31-20(10-3-4-11(23)12(24)7-10)21(17(15)27)32-22-19(29)18(28)16(26)9(2)30-22/h3-7,9,16,18-19,22-26,28-29H,1-2H3/t9-,16-,18+,19+,22-/m0/s1",Cc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(-c3ccc(O)c(O)c3)oc2c1,C22H22O10,pos_1_1proton,446.121296904,OHGOCMSNMZSHDG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,0,8.0
10178,933,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.74668914,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,3,6.4867565631866455
10179,933,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.74668914,ISDB,JIWBIWFOSCKQMA-LTKCOYKYSA-N,"InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-",CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O,C18H28O2,,276.208930136,JIWBIWFOSCKQMA,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Caenorhabditis elegans,395048.0,['Eukaryota'],['Metazoa'],['Nematoda'],['Chromadorea'],['Rhabditida'],['Rhabditidae'],['Unknown'],['Caenorhabditis'],['Caenorhabditis elegans'],2,3,6.4867565631866455
10180,932,-1,,,,0.50770545,ISDB,UHALWYKPVRNOFA-VRXWPRPYSA-N,"InChI=1S/C22H24O7/c1-26-17-6-5-13(8-18(17)27-2)21(24)19-16(11-29-22(19)25)20(23)12-3-4-14-9-28-10-15(14)7-12/h3-8,16,19-21,23-24H,9-11H2,1-2H3/t16-,19-,20+,21+/m0/s1",COc1ccc([C@@H](O)[C@H]2C(=O)OC[C@@H]2[C@H](O)c2ccc3c(c2)COC3)cc1OC,C22H24O7,,400.152203108,UHALWYKPVRNOFA,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutyrolactone lignans,Geranium thunbergii,387579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Geraniales'],['Geraniaceae'],['Unknown'],['Geranium'],['Geranium thunbergii'],4,0,6.030821800231934
10181,931,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,PXUQTDZNOHRWLI-JJYSZZJESA-O,"InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20-,21+,23-/m1/s1",COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O,C23H25O12+,pos_1_1proton,493.13405266009,PXUQTDZNOHRWLI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,2,10.0
10182,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
10183,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
10184,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
10185,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Saussurea costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
10186,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
10187,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,0,7.0
10188,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia lappa,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
10189,927,-1,,,,0.0,MS1_match,CZMRCDWAGMRECN-UGDNZRGBSA-N,"InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C12H22O11,pos_1_1sodium,342.116211524,CZMRCDWAGMRECN,Carbohydrates,Saccharides,Disaccharides,Aucklandia costus,772548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea costus'],7,0,7.0
10190,925,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,VSXQXYNBFPOEGX-UHFFFAOYSA-N,"InChI=1S/C23H22O13/c1-32-20-14(35-23-19(30)17(28)18(29)21(36-23)22(31)33-2)7-13-15(16(20)27)11(26)6-12(34-13)8-3-4-9(24)10(25)5-8/h3-7,17-19,21,23-25,27-30H,1-2H3",COC(=O)C1OC(Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2OC)C(O)C(O)C1O,C23H22O13,pos_1_1proton,506.106040764,VSXQXYNBFPOEGX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,2,7.0
10191,924,343,Terpenoids,Diterpenoids,Lathyrane diterpenoids,0.0,MS1_match,LIDBPZOYRAXILI-ZFOXUNKQSA-N,"InChI=1S/C32H39NO10/c1-15-12-32-28(41-20(6)36)16(2)13-31(32,43-32)27(37)17(3)25(40-19(5)35)22-23(30(22,7)8)26(24(15)39-18(4)34)42-29(38)21-10-9-11-33-14-21/h9-12,14,16-17,22-26,28H,13H2,1-8H3/b15-12-/t16-,17-,22-,23-,24-,25-,26+,28+,31-,32-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@@H]([C@@H](OC(=O)c3cccnc3)[C@@H](OC(C)=O)/C(C)=C\[C@@]34O[C@@]3(C[C@H](C)[C@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C32H39NO10,pos_1_1proton1isopropanol,597.257396448,LIDBPZOYRAXILI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia ingens,683659.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ingens'],7,3,8.5
10192,924,343,Terpenoids,Diterpenoids,Lathyrane diterpenoids,0.0,MS1_match,HQNSYEBVSCFDMN-QVQTYERCSA-N,"InChI=1S/C33H40O11/c1-16-13-33-29(42-21(6)37)17(2)14-32(33,44-33)28(38)18(3)26(41-20(5)36)23-24(31(23,7)15-34)27(25(16)40-19(4)35)43-30(39)22-11-9-8-10-12-22/h8-13,17-18,23-27,29,34H,14-15H2,1-7H3/b16-13+/t17-,18-,23-,24+,25+,26+,27+,29-,31-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)[C@@]2(C)CO,C33H40O11,pos_1_1proton1ethylamine,612.2570621,HQNSYEBVSCFDMN,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,3,8.5
10193,924,343,Terpenoids,Diterpenoids,Lathyrane diterpenoids,0.0,MS1_match,XEBNGXVAVDMLCS-PMZUXHFJSA-N,"InChI=1S/C33H40O11/c1-16-13-33(39)24(25(16)42-18(3)35)27(43-19(4)36)32-15-41-31(6,29(33)38)26(32)23-21(30(23,5)14-40-17(2)34)12-22(32)44-28(37)20-10-8-7-9-11-20/h7-11,16,21-27,39H,12-15H2,1-6H3/t16-,21-,22+,23-,24+,25-,26-,27+,30+,31+,32+,33+/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2[C@@H]3[C@@]4(CO[C@@]3(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]4OC(C)=O)[C@H](OC(=O)c3ccccc3)C[C@@H]21,C33H40O11,pos_1_1proton1ethylamine,612.2570621,XEBNGXVAVDMLCS,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,3,8.5
10194,924,343,Terpenoids,Diterpenoids,Lathyrane diterpenoids,0.0,MS1_match,XEBNGXVAVDMLCS-PMZUXHFJSA-N,"InChI=1S/C33H40O11/c1-16-13-33(39)24(25(16)42-18(3)35)27(43-19(4)36)32-15-41-31(6,29(33)38)26(32)23-21(30(23,5)14-40-17(2)34)12-22(32)44-28(37)20-10-8-7-9-11-20/h7-11,16,21-27,39H,12-15H2,1-6H3/t16-,21-,22+,23-,24+,25-,26-,27+,30+,31+,32+,33+/m0/s1",CC(=O)OC[C@@]1(C)[C@@H]2[C@@H]3[C@@]4(CO[C@@]3(C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]4OC(C)=O)[C@H](OC(=O)c3ccccc3)C[C@@H]21,C33H40O11,pos_1_1proton1ethylamine,612.2570621,XEBNGXVAVDMLCS,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,3,8.5
10195,924,343,Terpenoids,Diterpenoids,Lathyrane diterpenoids,0.0,MS1_match,QIBBWTGAUNURQV-SXWZHASOSA-N,"InChI=1S/C35H44O11/c1-17-15-35-32(45-25(39)14-23-10-12-24(41-9)13-11-23)18(2)16-34(35,46-35)31(40)19(3)29(43-21(5)37)26-27(33(26,7)8)30(44-22(6)38)28(17)42-20(4)36/h10-13,15,18-19,26-30,32H,14,16H2,1-9H3/b17-15+/t18-,19+,26-,27+,28+,29-,30-,32-,34-,35-/m0/s1",COc1ccc(CC(=O)O[C@H]2[C@@H](C)C[C@@]34O[C@@]23/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C4=O)C2(C)C)cc1,C35H44O11,pos_1_1proton1ammonium,640.288362228,QIBBWTGAUNURQV,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia officinarum,326310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia officinarum'],7,3,8.5
10196,922,74,Amino acids and Peptides,Small peptides,Aminoacids,0.54965925,ISDB,UPJONISHZRADBH-XPUUQOCRSA-N,"InChI=1S/C10H18N2O5/c1-5(2)8(11)9(15)12-6(10(16)17)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1",CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O,C10H18N2O5,,246.121571676,UPJONISHZRADBH,Amino acids and Peptides,Small peptides,Dipeptides,Glycine max,681762.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Glycine'],['Glycine max'],4,2,7.198637008666992
10197,919,-1,,,,0.5893817,ISDB,UXMMIMGEKFYPFK-UHFFFAOYSA-N,"InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)",CCC=CCC=CCC=CCC#CCCCCC(=O)O,C18H26O2,,274.193280072,UXMMIMGEKFYPFK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Dicranum scoparium,195712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Bryopsida'],['Dicranales'],['Dicranaceae'],['Unknown'],['Dicranum'],['Dicranum scoparium'],1,0,3.3575267791748047
10198,918,148,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.33936363,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Limnophila repens,6072982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Limnophila'],['Limnophila repens'],6,3,8.857454538345337
10199,918,148,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.33936363,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Conobea scoparioides,6072828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Conobea'],['Conobea scoparioides'],6,3,8.857454538345337
10200,916,-1,,,,0.24140865,ISDB,ZEYHEAKUIGZSGI-UHFFFAOYSA-N,"InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)",COc1ccc(C(=O)O)cc1,C8H8O3,,152.047344116,ZEYHEAKUIGZSGI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Euphorbia aleppica,3913040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia aleppica'],7,0,7.96563458442688
10201,911,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6028562,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,3,7.911424875259399
10202,911,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6028562,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.911424875259399
10203,911,167,Terpenoids,Sesquiterpenoids,Polyamines,0.6028562,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.911424875259399
10204,908,-1,,,,0.0,MS1_match,KIQWNCGQYMBUGO-WQQVWZHOSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,11,13-15H,5-9H2,1-3H3/t11?,13-,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@H]2OC1=O,C20H24O3,pos_1_1proton1ammonium,312.172544628,KIQWNCGQYMBUGO,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
10205,908,-1,,,,0.0,MS1_match,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,pos_1_1proton1ammonium,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
10206,908,-1,,,,0.0,MS1_match,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,pos_1_1proton1ammonium,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,0,7.0
10207,908,-1,,,,0.0,MS1_match,AGNCAZXZPUDAFT-ZUOKHONESA-N,"InChI=1S/C20H24O3/c1-11-10-23-18-14(11)17(22)16(21)12-6-7-13-19(2,3)8-5-9-20(13,4)15(12)18/h10,13H,5-9H2,1-4H3/t13-,20-/m1/s1",Cc1coc2c1C(=O)C(=O)C1=C2[C@]2(C)CCCC(C)(C)[C@H]2CC1,C20H24O3,pos_1_1proton1ammonium,312.172544628,AGNCAZXZPUDAFT,Terpenoids,Diterpenoids,Abietane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],7,0,7.0
10208,908,-1,,,,0.0,MS1_match,KIQWNCGQYMBUGO-WQQVWZHOSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,11,13-15H,5-9H2,1-3H3/t11?,13-,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@H]2OC1=O,C20H24O3,pos_1_1proton1ammonium,312.172544628,KIQWNCGQYMBUGO,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],7,0,7.0
10209,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],1,1,4.428896903991699
10210,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],1,1,4.428896903991699
10211,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],1,1,4.428896903991699
10212,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],1,1,4.428896903991699
10213,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],1,1,4.428896903991699
10214,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],1,1,4.428896903991699
10215,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,1,4.428896903991699
10216,907,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.7322242,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Acca sellowiana,9529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Acca'],['Acca sellowiana'],1,1,4.428896903991699
10217,905,-1,,,,0.0,MS1_match,MEGPURSNXMUDAE-RLMOJYMMSA-N,"InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8-/m0/s1",CN1[C@@H]2C[C@@H]3C[C@H]1[C@H](O)[C@H]2O3,C8H13NO2,pos_2MHCH3CN,155.094628656,MEGPURSNXMUDAE,Alkaloids,Ornithine alkaloids,Tropane alkaloids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
10218,905,-1,,,,0.0,MS1_match,ZLDDZZMJRUFHTG-VOTSOKGWSA-N,"InChI=1S/C18H29N3O4/c1-24-15-12-14(13-16(25-2)18(15)23)6-7-17(22)21-11-4-3-9-20-10-5-8-19/h6-7,12-13,20,23H,3-5,8-11,19H2,1-2H3,(H,21,22)/b7-6+",COc1cc(/C=C/C(=O)NCCCCNCCCN)cc(OC)c1O,C18H29N3O4,pos_1_1proton,351.215806408,ZLDDZZMJRUFHTG,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,7.0
10219,902,-1,,,,0.32725686,ISDB,OZOLQBVPEIWKPL-ARJAWSKDSA-N,"InChI=1S/C22H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,23H,5-8,11-14,17-19,22H2/b4-3-",C#C/C=C\CCCCC#CCCCCC#CCCCC#CCO,C22H28O,,308.214015516,OZOLQBVPEIWKPL,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],2,0,3.3090274333953857
10220,901,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.49758157,ISDB,VQTFXJZYQVWHJA-UHFFFAOYSA-N,"InChI=1S/C13H14O3/c1-8-6-9-4-5-10(14)13(16-3)12(9)11(7-8)15-2/h4-7,14H,1-3H3",COc1cc(C)cc2ccc(O)c(OC)c12,C13H14O3,,218.094294308,VQTFXJZYQVWHJA,Polyketides,Naphthalenes,Naphthalenes and derivatives,Diospyros celebica,1256.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Ebenaceae'],['Unknown'],['Diospyros'],['Diospyros celebica'],3,2,5.990326285362244
10221,899,28,Shikimates and Phenylpropanoids,Cyclic polyketides,Furans,0.3545586,ISDB,MTQPZHNZYWAXEH-UHFFFAOYSA-N,"InChI=1S/C11H16O2/c1-4-5-6-7-10-8(2)9(3)11(12)13-10/h7H,4-6H2,1-3H3",CCCCC=C1OC(=O)C(C)=C1C,C11H16O2,,180.115029752,MTQPZHNZYWAXEH,Polyketides,Cyclic polyketides,Furans,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,8.91823434829712
10222,891,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.6489629,ISDB,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,11.09585165977478
10223,890,98,Alkaloids,Ornithine alkaloids,Polyamines,0.23095778,ISDB,,,,,,,LENAJIZEHDVKNW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9238311052322388
10224,886,-1,,,,0.0,MS1_match,HWXBTNAVRSUOJR-GSVOUGTGSA-N,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",O=C(O)CC[C@@H](O)C(=O)O,C5H8O5,pos_2MK,148.037173356,HWXBTNAVRSUOJR,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],7,0,7.0
10225,886,-1,,,,0.0,MS1_match,OCIAPZWBJQRATB-UALZLMCPSA-N,"InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(20-4)19-3(9(17)18)1-5(12)13/h3-4,6-8,10-11,14-16H,1-2H2,(H,12,13)(H,17,18)/t3-,4+,6+,7-,8+,10+/m0/s1",O=C(O)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C10H16O10,pos_1_1potassium,296.074346712,OCIAPZWBJQRATB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Euphorbia pereskiifolia,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],7,0,7.0
10226,884,-1,,,,0.526453,ISDB,YZBZORUZOSCZRN-YWHLHSFDSA-N,"InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14?/t16-/m0/s1",CC/C=C\C[C@@H]1OC1=C/C=C\CCCCCCCC(=O)O,C18H28O3,,292.203844756,YZBZORUZOSCZRN,Fatty acids,Octadecanoids,Other Octadecanoids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,0,4.105812072753906
10227,878,-1,,,,0.0,MS1_match,FJIKWRGCXUCUIG-UHFFFAOYSA-N,"InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3",CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc21,C16H12Cl2N2O2,pos_1_1proton1dmso,334.027582984,FJIKWRGCXUCUIG,Alkaloids,Anthranilic acid alkaloids,Quinazoline alkaloids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
10228,877,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51299447,ISDB,PGTJIOWQJWHTJJ-STQMWFEESA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3/t12-,13-/m0/s1",Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@H]2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton eluteria,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,3,9.55197787284851
10229,877,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.51299447,ISDB,PGTJIOWQJWHTJJ-UHFFFAOYSA-N,"InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3",Cc1ccc2c(c1)C(C(C)C)CCC2C,C15H22,,202.172150704,PGTJIOWQJWHTJJ,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Croton nitens,939537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton nitens'],6,3,9.55197787284851
10230,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-HYXREVLBSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.4071570320003,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
10231,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-UHFFFAOYSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)",CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(COS(=O)(=O)O)C(O)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa,705524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Unknown'],6,0,6.0
10232,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-MBKUMDAMSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21?,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39-,40+,41-/m1/s1",CC(C)=CC1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
10233,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-FTIYEOEQSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
10234,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-HYXREVLBSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.4071570320003,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
10235,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-UHFFFAOYSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)",CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(COS(=O)(=O)O)C(O)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa,705524.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Unknown'],6,0,6.0
10236,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-MBKUMDAMSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21?,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39-,40+,41-/m1/s1",CC(C)=CC1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa crenata,6072655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa crenata'],6,0,6.0
10237,875,-1,,,,0.0,MS1_match,JZAZJIXVJNAOQD-FTIYEOEQSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)/t21-,22+,23+,24-,25+,26-,27+,28-,29+,30-,31-,32+,33+,34+,35+,37+,38-,39+,40+,41-/m1/s1",CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JZAZJIXVJNAOQD,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monniera,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
10238,875,-1,,,,0.0,MS1_match,JTWVMELOPRBCGZ-UHFFFAOYSA-N,"InChI=1S/C41H66O16S/c1-20(2)14-21-16-51-41-18-40(19-52-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-35-31(46)32(29(44)24(55-35)17-53-58(48,49)50)57-34-30(45)28(43)23(15-42)54-34/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49,50)",CC(C)=CC1COC23CC4(CO2)C(CCC2C5(C)CCC(OC6OC(COS(=O)(=O)O)C(O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(C)C5CCC24C)C3C1(C)O,C41H66O16S,pos_2_1proton1potassium,846.407157032,JTWVMELOPRBCGZ,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Bacopa monnieri,940306.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Bacopa'],['Bacopa monnieri'],6,0,6.0
10239,871,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1sodium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,1,6.5
10240,871,841,Terpenoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QZIOPOIUZGGXKI-KOYXEPTDSA-N,"InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,pos_1_1sodium,346.1627677919999,QZIOPOIUZGGXKI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,1,6.5
10241,870,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,OIGSSDJKYJBKMU-UHFFFAOYSA-N,"InChI=1S/C28H32O16/c1-40-13-4-9(2-3-10(13)31)12-5-11(32)18-14(41-12)6-15(43-28-26(39)24(37)21(34)17(8-30)44-28)19(22(18)35)27-25(38)23(36)20(33)16(7-29)42-27/h2-6,16-17,20-21,23-31,33-39H,7-8H2,1H3",COc1cc(-c2cc(=O)c3c(O)c(C4OC(CO)C(O)C(O)C4O)c(OC4OC(CO)C(O)C(O)C4O)cc3o2)ccc1O,C28H32O16,pos_1_1proton,624.169034944,OIGSSDJKYJBKMU,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,2,8.0
10242,868,561,Shikimates and Phenylpropanoids,Tryptophan alkaloids,Cinnamic acids and derivatives,0.47644368,ISDB,QIVBCDIJIAJPQS-VIFPVBQESA-N,"InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1",N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,C11H12N2O2,,204.089877624,QIVBCDIJIAJPQS,Amino acids and Peptides,Small peptides,Aminoacids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,9.905774712562561
10243,863,-1,,,,0.0,MS1_match,PXGWEUQZDRUMRE-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",O=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O16,pos_1_1sodium,616.106434688,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
10244,863,-1,,,,0.0,MS1_match,PXGWEUQZDRUMRE-UHFFFAOYSA-N,"InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2",O=C(OC1C(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O16,pos_1_1sodium,616.106434688,PXGWEUQZDRUMRE,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
10245,862,-1,,,,0.31535167,ISDB,QHIGIWVSGGPMOB-UVTDQMKNSA-N,"InChI=1S/C20H30O4/c1-13(2)8-9-17(21)14(3)10-12-20(23)19(5)11-6-7-16(19)15(4)18(22)24-20/h8,10,17,21,23H,6-7,9,11-12H2,1-5H3/b14-10-",CC(C)=CCC(O)/C(C)=C\CC1(O)OC(=O)C(C)=C2CCCC21C,C20H30O4,,334.21440944,QHIGIWVSGGPMOB,Terpenoids,Diterpenoids,,Neopetrosia vanilla,4939023.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Petrosiidae'],['Unknown'],['Neopetrosia'],['Neopetrosia vanilla'],2,0,3.261406660079956
10246,861,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.40625122,ISDB,BXDMRIPPLXNONS-CBBWQLFWSA-N,"InChI=1S/C15H31NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h12-15,17-18H,4-11H2,1-3H3/t12-,13+,14+,15-/m1/s1",CCC[C@@H](O)C[C@@H]1CCC[C@H](C[C@@H](O)CC)N1C,C15H31NO2,,257.235479232,BXDMRIPPLXNONS,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Dialypetalum floribundum,3893939.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Dialypetalum'],['Dialypetalum floribundum'],4,3,7.125004887580872
10247,861,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.40625122,ISDB,BXDMRIPPLXNONS-UHFFFAOYSA-N,"InChI=1S/C15H31NO2/c1-4-7-15(18)11-13-9-6-8-12(16(13)3)10-14(17)5-2/h12-15,17-18H,4-11H2,1-3H3",CCCC(O)CC1CCCC(CC(O)CC)N1C,C15H31NO2,,257.235479232,BXDMRIPPLXNONS,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Siphocampylus verticillatus,3892682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Siphocampylus'],['Siphocampylus verticillatus'],4,3,7.125004887580872
10248,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10249,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,GJRZFQZDUHIPAV-UHFFFAOYSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)66-33-32-30-18(7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)64-30)4-16(45)26(50)29(21)53)63-39(33)67-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)65-32)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2",O=C1OC2OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC3C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O)C3(O)O4)C2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,GJRZFQZDUHIPAV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10250,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WFWNGSCCGYXKPV-VIUILRJOSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(36(56)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23-,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@@H](O3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@H]3C1=CC(=O)C(O)(O)[C@@]3(O)O4)[C@@H]2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,WFWNGSCCGYXKPV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10251,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WTKZYPVTAXZSEM-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)[C@]2(O)O3,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,WTKZYPVTAXZSEM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10252,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,WTKZYPVTAXZSEM-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)40(59,60)41(61)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)C(O)(O)[C@]2(O)O3,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,WTKZYPVTAXZSEM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10253,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,KTMJANHHXHZLEU-AHSVKIOASA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-36(56)11-5-17(46)27(51)31-22(11)23-12(38(58)64-30)6-19(47)40(59,60)41(23,61)68-31/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41-/m1/s1",O=C1O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)C(O)(O)[C@]3(O)O4)[C@@H]1OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC[C@H]2O1,C41H28O27,pos_1_1proton1ammonium,952.081795636,KTMJANHHXHZLEU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10254,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,JQQBXPCJFAKSPG-SVYIMCMUSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)67-39-33-32-30(64-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(37(57)66-33)5-17(46)27(51)31(22)68-41)18(63-39)7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(36(56)65-32)4-16(45)26(50)29(21)53/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2/t18-,23+,30-,32+,33-,39+,41+/m1/s1",O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O,C41H28O27,pos_1_1proton1ammonium,952.0817956360004,JQQBXPCJFAKSPG,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10255,858,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,LZWBAZIQHWROOC-UHFFFAOYSA-N,"InChI=1S/C41H28O27/c42-13-1-8(2-14(43)24(13)48)34(54)65-32-30-18-7-62-35(55)9-3-15(44)25(49)28(52)20(9)21-10(4-16(45)26(50)29(21)53)37(57)67-39(63-18)33(32)66-38(58)12-6-19(47)41(61)40(59,60)23(12)22-11(36(56)64-30)5-17(46)27(51)31(22)68-41/h1-6,18,23,30,32-33,39,42-46,48-53,59-61H,7H2",O=C1OC2C3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(O)c(O)c4O)C(=O)OCC(O3)C(OC(=O)c3cc(O)c(O)c4c3C3C1=CC(=O)C(O)(O4)C3(O)O)C2OC(=O)c1cc(O)c(O)c(O)c1,C41H28O27,pos_1_1proton1ammonium,952.081795636,LZWBAZIQHWROOC,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
10256,855,-1,,,,0.5179517,ISDB,SDOROZFSWAADKQ-KSDGWNODSA-N,"InChI=1S/C35H28O20/c36-10-23-27(47)30(53-33(49)12-4-18(41)25(45)19(42)5-12)32(54-34(50)13-6-20(43)26(46)21(44)7-13)35(52-23)55-31-28(48)24-17(40)8-14(37)9-22(24)51-29(31)11-1-2-15(38)16(39)3-11/h1-9,23,27,30,32,35-47H,10H2/t23-,27+,30+,32-,35+/m1/s1",O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C35H28O20,,768.117393296,SDOROZFSWAADKQ,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],7,0,9.071806907653809
10257,853,-1,,,,0.0,MS1_match,BBGNINPPDHJETF-UHFFFAOYSA-N,"InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3",CCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1,C23H40O2,pos_1_minus1proton2potassium,348.30283052,BBGNINPPDHJETF,Polyketides,Aromatic polyketides,Catechols with side chains,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
10258,853,-1,,,,0.0,MS1_match,CTXSJTVPXXODHB-UHFFFAOYSA-N,"InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-22(24)19-17-20-23(21)25/h17,19-20,24-25H,2-16,18H2,1H3",CCCCCCCCCCCCCCCCCc1c(O)cccc1O,C23H40O2,pos_1_minus1proton2potassium,348.30283052,CTXSJTVPXXODHB,Polyketides,Aromatic polyketides,Catechols with side chains,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
10259,851,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10260,851,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,DSNCQKUYZOSARM-QVLXMGEUSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-3-8-1-4-9(17)5-2-8/h1-6,10,12-17,19-21H,7H2/b6-3+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,DSNCQKUYZOSARM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10261,851,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LJFYQZQUAULRDF-FDGSXQGBSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,LJFYQZQUAULRDF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10262,851,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,LJFYQZQUAULRDF-FDGSXQGBSA-N,"InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/b6-3+/t10-,12-,13+,14-,15-/m1/s1",O=C(O)/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1,C15H18O8,pos_1_1proton1ammonium,326.1001675359999,LJFYQZQUAULRDF,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10263,848,-1,,,,0.0,MS1_match,JZLNEGYYSYMRBG-KLOLGFOXSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15+,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,0,7.0
10264,848,-1,,,,0.0,MS1_match,BKQBPJIALFPDKG-UBJMXQSSSA-N,"InChI=1S/C17H22O5/c1-7-5-12(19)15-9(3)17(20)22-16(15)14-8(2)13(6-11(7)14)21-10(4)18/h9,11-16,19H,1-2,5-6H2,3-4H3/t9-,11+,12+,13+,14+,15-,16-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1OC(C)=O,C17H22O5,pos_1_1sodium,306.146723804,BKQBPJIALFPDKG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,0,7.0
10265,848,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1sodium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
10266,848,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-KNFRCYCHSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3/t8-,9+,11+,13+,14+,15-,16-/m1/s1",C=C1C[C@H](OC(C)=O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
10267,848,-1,,,,0.0,MS1_match,PENVAWWEHIPEFZ-GQGLPCBOSA-N,"InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-15-16(14(19)7-10)11(2)17(20)22-15/h5,8,14-16,19H,2,4,6-7,9H2,1,3H3/b10-5+,13-8+/t14-,15-,16+/m0/s1",C=C1C(=O)O[C@H]2/C=C(/COC(C)=O)CC/C=C(\C)C[C@H](O)[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,PENVAWWEHIPEFZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea paui,662759.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea paui'],7,0,7.0
10268,848,-1,,,,0.0,MS1_match,QBXGUKUDRCWSKF-UHFFFAOYSA-N,"InChI=1S/C17H22O5/c1-7-5-13(21-10(4)18)15-9(3)17(20)22-16(15)14-8(2)12(19)6-11(7)14/h8-9,11,13-16H,1,5-6H2,2-4H3",C=C1CC(OC(C)=O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C17H22O5,pos_1_1sodium,306.146723804,QBXGUKUDRCWSKF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,0,7.0
10269,848,-1,,,,0.0,MS1_match,QEVHLUKQJLJTFL-GGSLXBGOSA-N,"InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-14(19)16-11(2)17(20)22-15(16)7-10/h5,8,14-16,19H,2,4,6-7,9H2,1,3H3/b10-5+,13-8-/t14-,15+,16+/m1/s1",C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(COC(C)=O)=C/[C@@H](O)[C@H]12,C17H22O5,pos_1_1sodium,306.146723804,QEVHLUKQJLJTFL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea seridis,539755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea polyacantha'],7,0,7.0
10270,848,-1,,,,0.0,MS1_match,JZLNEGYYSYMRBG-IATJYDTKSA-N,"InChI=1S/C17H22O5/c1-8-4-5-11-9(2)17(20)22-16(11)15-12(8)6-14(19)13(15)7-21-10(3)18/h11-16,19H,1-2,4-7H2,3H3/t11-,12-,13+,14-,15-,16-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@H](COC(C)=O)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C17H22O5,pos_1_1sodium,306.146723804,JZLNEGYYSYMRBG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,0,7.0
10271,846,24,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.6012154,ISDB,ODBRNZZJSYPIDI-VJXVFPJBSA-N,"InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1",O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C21H20O11,,448.10056145999977,ODBRNZZJSYPIDI,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,12.904861688613892
10272,842,980,Terpenoids,Diterpenoids,Secolabdane diterpenoids,0.57705426,ISDB,AGZLWVWHDVCYDK-UXAJNAOFSA-N,"InChI=1S/C20H32O2/c1-15(9-7-10-17(3)19(21)22-6)12-13-18-16(2)11-8-14-20(18,4)5/h7,9-10,17H,8,11-14H2,1-6H3/b10-7+,15-9+/t17-/m1/s1",COC(=O)[C@H](C)/C=C/C=C(\C)CCC1=C(C)CCCC1(C)C,C20H32O2,,304.240230264,AGZLWVWHDVCYDK,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Latrunculia brevis,2837898.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Latrunculiidae'],['Unknown'],['Latrunculia'],['Latrunculia brevis'],2,3,5.8082170486450195
10273,839,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,ZOAMBXDOGPRZLP-UHFFFAOYSA-N,"InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)",NC(=O)Cc1c[nH]c2ccccc12,C10H10N2O,pos_1_1proton1methanol,174.07931294,ZOAMBXDOGPRZLP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10274,835,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.83235943,ISDB,OIIJXQMSEYQDDI-UHFFFAOYSA-N,"InChI=1S/C13H18/c1-9-7-8-11(3)13-10(2)5-4-6-12(9)13/h7-8,10H,4-6H2,1-3H3",Cc1ccc(C)c2c1CCCC2C,C13H18,,174.140850576,OIIJXQMSEYQDDI,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],4,3,8.829437732696533
10275,830,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.5415713,ISDB,SSWZIHDEYOORCA-UHFFFAOYSA-N,"InChI=1S/C9H21NOS/c1-12(11)9-7-5-3-2-4-6-8-10/h2-10H2,1H3",C[S+]([O-])CCCCCCCCN,C9H21NOS,,191.134385292,SSWZIHDEYOORCA,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,0,5.166285276412964
10276,826,495,Terpenoids,Steroids,Cholestane steroids,0.35788113,ISDB,YHRVCEOENVRMCE-ZMDOWGGLSA-N,"InChI=1S/C27H44O3/c1-15(2)6-9-22-16(3)25-23(30-22)14-21-19-8-7-17-12-18(28)13-24(29)27(17,5)20(19)10-11-26(21,25)4/h7,15-16,18-25,28-29H,6,8-14H2,1-5H3/t16-,18+,19+,20-,21-,22-,23+,24-,25+,26+,27+/m1/s1",CC(C)CC[C@H]1O[C@H]2C[C@@H]3[C@H]4CC=C5C[C@H](O)C[C@@H](O)[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2[C@@H]1C,C27H44O3,,416.329045268,YHRVCEOENVRMCE,Terpenoids,Steroids,Cholestane steroids,Cordyline rubra,3995176.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Asparagaceae'],['Unknown'],['Cordyline'],['Cordyline rubra'],3,3,5.9315245151519775
10277,825,-1,,,,0.65496206,ISDB,YUTAFQVKXLDYFG-YTQIUSBHSA-N,"InChI=1S/C16H26O6/c1-9(2)11-5-3-10(4-6-11)8-21-16-15(20)14(19)13(18)12(7-17)22-16/h3,11-20H,1,4-8H2,2H3/t11-,12-,13-,14+,15-,16-/m1/s1",C=C(C)[C@@H]1CC=C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1,C16H26O6,,314.17293855199995,YUTAFQVKXLDYFG,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Perilla frutescens,295678.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Elsholtzieae'],['Perilla'],['Perilla frutescens'],4,0,6.619848251342773
10278,823,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
10279,823,-1,,,,0.0,MS1_match,NDFXRYYKHPTWQZ-JMHMQHLHSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-23-15(3)12-31-27(39-20(8)34)16(4)13-30(31,41-31)26(35)17(5)24(37-18(6)32)21-22(29(21,9)10)25(23)38-19(7)33/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11-,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(/C)C(=O)O[C@@H]1/C(C)=C/[C@@]23O[C@@]2(C[C@H](C)[C@@H]3OC(C)=O)C(=O)[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]([C@@H]1OC(C)=O)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,NDFXRYYKHPTWQZ,Terpenoids,Sesquiterpenoids,,Euphorbia abyssinica,455229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia abyssinica'],7,0,7.0
10280,823,-1,,,,0.0,MS1_match,UITHKGLLFMAUBX-NDEIKLGZSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-25-22-21(29(22,9)10)24(38-19(7)33)17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(25)37-18(6)32/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17-,21-,22+,23+,24+,25+,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(C)=O)O4)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UITHKGLLFMAUBX,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
10281,823,-1,,,,0.0,MS1_match,AJWCYHXAGRQFMF-ZVEGZMIISA-N,"InChI=1S/C31H42O10/c1-15-14-31-22(23(15)39-28(36)19-11-9-8-10-12-19)27-30(7,41-27)21(38-18(4)33)13-20(37-17(3)32)29(5,6)26(35)24(40-31)16(2)25(31)34/h8-12,15-16,20-27,34-35H,13-14H2,1-7H3/t15-,16+,20+,21+,22+,23-,24+,25-,26-,27+,30+,31+/m0/s1",CC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)O[C@@H]2[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]23O[C@H]([C@@H](C)[C@@H]3O)[C@H](O)C1(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,AJWCYHXAGRQFMF,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
10282,823,-1,,,,0.0,MS1_match,UZRKPVBMUCEXBL-SKGWOQKVSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-24-17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(37-18(6)32)25(38-19(7)33)22-21(24)29(22,9)10/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UZRKPVBMUCEXBL,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia triangularis,411388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia triangularis'],7,0,7.0
10283,823,-1,,,,0.0,MS1_match,UZRKPVBMUCEXBL-SKGWOQKVSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-24-17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(37-18(6)32)25(38-19(7)33)22-21(24)29(22,9)10/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UZRKPVBMUCEXBL,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia ledienii,292592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ledienii'],7,0,7.0
10284,823,-1,,,,0.0,MS1_match,UZRKPVBMUCEXBL-SKGWOQKVSA-N,"InChI=1S/C31H42O10/c1-11-14(2)28(36)40-24-17(5)26(35)30-13-16(4)27(39-20(8)34)31(30,41-30)12-15(3)23(37-18(6)32)25(38-19(7)33)22-21(24)29(22,9)10/h11-12,16-17,21-25,27H,13H2,1-10H3/b14-11+,15-12+/t16-,17+,21-,22+,23+,24-,25-,27-,30-,31-/m0/s1",C/C=C(\C)C(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,UZRKPVBMUCEXBL,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia caerulescens,136212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia caerulescens'],7,0,7.0
10285,823,-1,,,,0.0,MS1_match,DVFBOMVAFAYEHO-KBRUKHPQSA-N,"InChI=1S/C31H42O10/c1-17-15-22-25(40-27(36)21-11-9-8-10-12-21)18(2)26(35)31(22,41-20(4)33)28(37)30(7,38)14-13-29(5,6)24(16-23(17)34)39-19(3)32/h8-15,18,22-26,28,34-35,37-38H,16H2,1-7H3/b14-13+,17-15?/t18-,22+,23-,24+,25+,26+,28-,30+,31+/m1/s1",CC(=O)O[C@H]1C[C@@H](O)C(C)=C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H](O)[C@]2(OC(C)=O)[C@H](O)[C@@](C)(O)/C=C/C1(C)C,C31H42O10,pos_1_minus1proton2sodium,574.277797544,DVFBOMVAFAYEHO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia tithymaloides,817086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia tithymaloides'],7,0,7.0
10286,823,-1,,,,0.0,MS1_match,UXXCYRXOIGPLCA-PNURPOIQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)25(40-21(4)34)16-19(2)27(41-22(5)35)26-28(42-31(39)24-12-10-9-11-13-24)20(3)17-33(26,29(18)37)43-23(6)36/h9-15,18,20,25-28H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,26-,27-,28-,33+/m0/s1",C=C1C[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H40O10,pos_1_1sodium,596.26214748,UXXCYRXOIGPLCA,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
10287,823,-1,,,,0.0,MS1_match,YCHJWRVSZGGWFE-MQFNCDSZSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-14,16,20,25-28H,15,17H2,1-8H3/b18-14-,19-16+/t20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)C/C=C(/C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1sodium,596.26214748,YCHJWRVSZGGWFE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
10288,823,-1,,,,0.0,MS1_match,GQHVPVLVTMOBIA-QDRSWXRKSA-N,"InChI=1S/C30H44O11/c1-9-10-20(34)41-25-22-23(40-17(5)33)14(2)12-30(22,37)26(35)28(8,36)24-21-18(27(21,6)7)11-19(39-16(4)32)29(24,25)13-38-15(3)31/h14,18-19,21-25,36-37H,9-13H2,1-8H3/t14-,18-,19+,21-,22+,23-,24-,25+,28-,29+,30+/m1/s1",CCCC(=O)O[C@H]1[C@@H]2[C@H](OC(C)=O)[C@H](C)C[C@@]2(O)C(=O)[C@](C)(O)[C@H]2[C@H]3[C@@H](C[C@H](OC(C)=O)[C@]12COC(C)=O)C3(C)C,C30H44O11,pos_1_1potassium,580.288362228,GQHVPVLVTMOBIA,Terpenoids,Diterpenoids,Premyrsinane diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
10289,823,-1,,,,0.0,MS1_match,KTYYUKJLUJGKMG-JFGBKWHQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-16,18,20,25-28H,17H2,1-8H3/b15-14+,19-16+/t18-,20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1sodium,596.26214748,KTYYUKJLUJGKMG,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
10290,823,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
10291,823,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
10292,823,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
10293,823,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
10294,823,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
10295,823,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
10296,823,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
10297,823,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1sodium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
10298,823,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1sodium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
10299,823,-1,,,,0.0,MS1_match,AZYFFNZMEAGTQA-HWQDMKBVSA-N,"InChI=1S/C33H40O10/c1-17-12-13-23-14-32(16-41-19(3)34)28(38)25-27(40-15-22-10-8-7-9-11-22)18(2)29(42-20(4)35)33(25,39)30(43-21(5)36)31(32,6)24(23)26(17)37/h7-13,18,25,27-30,37-39H,14-16H2,1-6H3/t18-,25-,27+,28-,29-,30-,31-,32-,33+/m1/s1",CC(=O)OC[C@@]12Cc3ccc(C)c(O)c3[C@]1(C)[C@@H](OC(C)=O)[C@]1(O)[C@H]([C@@H](OCc3ccccc3)[C@@H](C)[C@H]1OC(C)=O)[C@H]2O,C33H40O10,pos_1_1sodium,596.26214748,AZYFFNZMEAGTQA,Terpenoids,,,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
10300,823,-1,,,,0.0,MS1_match,GQHVPVLVTMOBIA-QDRSWXRKSA-N,"InChI=1S/C30H44O11/c1-9-10-20(34)41-25-22-23(40-17(5)33)14(2)12-30(22,37)26(35)28(8,36)24-21-18(27(21,6)7)11-19(39-16(4)32)29(24,25)13-38-15(3)31/h14,18-19,21-25,36-37H,9-13H2,1-8H3/t14-,18-,19+,21-,22+,23-,24-,25+,28-,29+,30+/m1/s1",CCCC(=O)O[C@H]1[C@@H]2[C@H](OC(C)=O)[C@H](C)C[C@@]2(O)C(=O)[C@](C)(O)[C@H]2[C@H]3[C@@H](C[C@H](OC(C)=O)[C@]12COC(C)=O)C3(C)C,C30H44O11,pos_1_1potassium,580.288362228,GQHVPVLVTMOBIA,Terpenoids,Diterpenoids,Premyrsinane diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
10301,822,-1,,,,0.3340026,ISDB,IMKHDCBNRDRUEB-LLVKDONJSA-N,"InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3/t11-/m1/s1",CC1(C)CCC[C@@]2(C)OC(=O)C=C12,C11H16O2,,180.115029752,IMKHDCBNRDRUEB,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,8.336010456085205
10302,821,-1,,,,0.0,MS1_match,XCAKPWXDUSEAEH-CLGLNXEMSA-N,"InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO2,pos_1_1proton,411.313729552,XCAKPWXDUSEAEH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum aviculare,494825.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aviculare'],8,0,8.0
10303,821,-1,,,,0.0,MS1_match,XCAKPWXDUSEAEH-CLGLNXEMSA-N,"InChI=1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO2,pos_1_1proton,411.313729552,XCAKPWXDUSEAEH,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum procumbens,373150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum procumbens'],8,0,8.0
10304,819,167,Terpenoids,Sesquiterpenoids,Polyamines,0.62052196,ISDB,AKIHYQWCLCDMMI-VMPITWQZSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)/b8-5+",N=C(N)NCCCCNC(=O)/C=C/c1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.982087850570679
10305,819,167,Terpenoids,Sesquiterpenoids,Polyamines,0.62052196,ISDB,AKIHYQWCLCDMMI-UHFFFAOYSA-N,"InChI=1S/C14H20N4O2/c15-14(16)18-10-2-1-9-17-13(20)8-5-11-3-6-12(19)7-4-11/h3-8,19H,1-2,9-10H2,(H,17,20)(H4,15,16,18)",N=C(N)NCCCCNC(=O)C=Cc1ccc(O)cc1,C14H20N4O2,,276.15862588,AKIHYQWCLCDMMI,Alkaloids,Ornithine alkaloids,Polyamines,Albizia julibrissin,39517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Ingeae'],['Albizia'],['Albizia julibrissin'],4,3,7.982087850570679
10306,818,-1,,,,0.24860239,ISDB,LBNWZGLSMCTAQB-UHFFFAOYSA-N,"InChI=1S/C10H14O3/c1-6-3-4-8-7(2)9(11)13-10(8,12)5-6/h6,12H,3-5H2,1-2H3",CC1=C2CCC(C)CC2(O)OC1=O,C10H14O3,,182.094294308,LBNWZGLSMCTAQB,Terpenoids,Monoterpenoids,,Mentha piperita,6082512.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Mentha'],['Mentha x piperita'],5,0,5.994409561157227
10307,817,-1,,,,0.44688743,ISDB,ONQKZEWRQOTVRA-UHFFFAOYSA-N,"InChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-17-16(19-15)13-5-3-2-4-6-13/h2-11H,1H3",COc1ccc(-c2cnc(-c3ccccc3)o2)cc1,C16H13NO2,,251.094628656,ONQKZEWRQOTVRA,Alkaloids,Tyrosine alkaloids,Oxazole alkaloids,Vepris uguenensis,6126701.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Vepris'],['Vepris uguenensis'],3,0,4.787549734115601
10308,816,81,Terpenoids,Apocarotenoids,Megastigmanes,0.0,MS1_match,SNMLGMAKMWIVSL-PLCWCGNJSA-N,"InChI=1S/C19H34O9/c1-9(21)4-5-12-18(2)8-26-19(12,3)6-10(22)16(18)28-17-15(25)14(24)13(23)11(7-20)27-17/h9-17,20-25H,4-8H2,1-3H3/t9-,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-/m1/s1",C[C@@H](O)CC[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H34O9,pos_1_1proton1ammonium,406.220282668,SNMLGMAKMWIVSL,Terpenoids,Apocarotenoids,Megastigmanes,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],8,3,9.5
10309,815,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,IPAOSRZLXCPVNC-BKKYRAIMSA-N,"InChI=1S/C27H32O5/c1-14-11-18-20-19(25(20,4)5)12-16(3)26(22(18)29)13-15(2)23(27(26,31)21(14)28)32-24(30)17-9-7-6-8-10-17/h6-11,13,16,18-21,23,28,31H,12H2,1-5H3/t16-,18-,19-,20+,21-,23+,26+,27+/m1/s1",CC1=C[C@H]2C(=O)[C@]3(C=C(C)[C@H](OC(=O)c4ccccc4)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C27H32O5,pos_2MMg,436.224974124,IPAOSRZLXCPVNC,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,3,8.5
10310,814,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,pos_1_1proton1methanol,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
10311,814,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.0,MS1_match,ACHDMUPTZYZIGR-JPAZTHTMSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h3-4,6,8,11,14H,2,5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b4-3+,8-6+,14-11+",CC/C=C/C/C=C/C=C/C(=O)CCCCCCCC(=O)O,C18H28O3,pos_1_1proton1methanol,292.203844756,ACHDMUPTZYZIGR,Fatty acids,Octadecanoids,Other Octadecanoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
10312,813,207,Alkaloids,,,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1sodium,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
10313,813,207,Alkaloids,,,0.0,MS1_match,UOASSFRPBORTCT-FFNJBFJXSA-N,"InChI=1S/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3/t10-,11-,12+,13-,15+,16-/m1/s1",COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2OC,C16H21NO10,pos_1_1sodium,387.1165458719999,UOASSFRPBORTCT,,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
10314,810,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,AXYVMSATLCNYCX-AAXAUXRISA-N,"InChI=1S/C12H18O5/c1-8(13)4-5-12(15)10(2)6-9(14)7-11(12,3)17-16-10/h4-5,8,13,15H,6-7H2,1-3H3/b5-4+/t8-,10-,11+,12-/m1/s1",C[C@@H](O)/C=C/[C@@]1(O)[C@@]2(C)CC(=O)C[C@]1(C)OO2,C12H18O5,pos_2MH,242.115423676,AXYVMSATLCNYCX,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10315,808,149,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.2682378,ISDB,ZBNCCHSTFXTEQU-GMLZMKKNSA-N,"InChI=1S/C18H26O4/c1-11-7-15(20)8-12(2)18(11,4)6-5-14-10-16(9-13(3)19)22-17(14)21/h7,10,12,15-16,20H,5-6,8-9H2,1-4H3/t12-,15-,16+,18-/m1/s1",CC(=O)C[C@H]1C=C(CC[C@]2(C)C(C)=C[C@@H](O)C[C@H]2C)C(=O)O1,C18H26O4,,306.183109312,ZBNCCHSTFXTEQU,Terpenoids,Diterpenoids,Halimane diterpenoids,Dysidea fragilis,2836492.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Dictyoceratida'],['Dysideidae'],['Unknown'],['Dysidea'],['Dysidea fragilis'],2,1,3.5729511976242065
10316,807,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.6360447,ISDB,ILTHPPRTQUWWGU-NXUBFONISA-N,"InChI=1S/C21H22O10/c22-8-17-19(27)20(28)21(9-23,31-17)30-12-5-13(25)18-14(26)7-15(29-16(18)6-12)10-1-3-11(24)4-2-10/h1-6,15,17,19-20,22-25,27-28H,7-9H2/t15-,17+,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,,434.121296904,ILTHPPRTQUWWGU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],8,3,12.04417872428894
10317,806,76,Terpenoids,Naphthalenes,Isoindole alkaloids,0.0,MS1_match,ZUANWKXIWLOPFL-IRFZKGKOSA-N,"InChI=1S/C26H38O13/c1-10-4-11-13(5-14(28)12-6-35-21(16(11)12)17(10)29)25(2,3)39-23-20(32)19(31)18(30)15(38-23)7-36-24-22(33)26(34,8-27)9-37-24/h6,10-11,13-15,18-20,22-24,27-28,30-34H,4-5,7-9H2,1-3H3/t10-,11+,13-,14+,15+,18+,19-,20+,22-,23-,24+,26+/m0/s1",C[C@H]1C[C@H]2c3c(coc3C1=O)[C@H](O)C[C@@H]2C(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C26H38O13,pos_2MCa,558.231241276,ZUANWKXIWLOPFL,Terpenoids,,,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,1,6.5
10318,806,76,Terpenoids,Naphthalenes,Isoindole alkaloids,0.0,MS1_match,ZUANWKXIWLOPFL-IRFZKGKOSA-N,"InChI=1S/C26H38O13/c1-10-4-11-13(5-14(28)12-6-35-21(16(11)12)17(10)29)25(2,3)39-23-20(32)19(31)18(30)15(38-23)7-36-24-22(33)26(34,8-27)9-37-24/h6,10-11,13-15,18-20,22-24,27-28,30-34H,4-5,7-9H2,1-3H3/t10-,11+,13-,14+,15+,18+,19-,20+,22-,23-,24+,26+/m0/s1",C[C@H]1C[C@H]2c3c(coc3C1=O)[C@H](O)C[C@@H]2C(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C26H38O13,pos_2MCa,558.231241276,ZUANWKXIWLOPFL,Terpenoids,,,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,1,6.5
10319,804,1399,Alkaloids,Tryptophan alkaloids,Hydroxy fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Helianthus annuus,515712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus annuus'],6,3,7.5
10320,804,1399,Alkaloids,Tryptophan alkaloids,Hydroxy fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Parasenecio hastatus,7051982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Parasenecio'],['Parasenecio hastatus'],6,3,7.5
10321,804,1399,Alkaloids,Tryptophan alkaloids,Hydroxy fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Cacalia hastata,4727344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cacalia'],['Cacalia hastata'],6,3,7.5
10322,804,1399,Alkaloids,Tryptophan alkaloids,Hydroxy fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Tagetes erecta,717584.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tageteae'],['Tagetes'],['Tagetes erecta'],6,3,7.5
10323,804,1399,Alkaloids,Tryptophan alkaloids,Hydroxy fatty acids,0.0,MS1_match,KRKNYBCHXYNGOX-UHFFFAOYSA-N,"InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)",O=C(O)CC(O)(CC(=O)O)C(=O)O,C6H8O7,pos_1_1sodium,192.027002596,KRKNYBCHXYNGOX,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Tagetes patula,800963.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Tageteae'],['Tagetes'],['Tagetes patula'],6,3,7.5
10324,803,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MH,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10325,803,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_2MH,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10326,801,-1,,,,0.63912743,ISDB,WTHUMSLQUHCWCH-CMKODMSKSA-N,"InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17-18,21H,7,9-11H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C,C20H30O,,286.22966558,WTHUMSLQUHCWCH,Terpenoids,Diterpenoids,Abietane diterpenoids,Nepeta tuberosa,830208.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Nepeta'],['Nepeta tuberosa'],5,0,7.556509733200073
10327,801,-1,,,,0.63912743,ISDB,WTHUMSLQUHCWCH-CMKODMSKSA-N,"InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17-18,21H,7,9-11H2,1-5H3/t17-,18-,20+/m0/s1",CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C,C20H30O,,286.22966558,WTHUMSLQUHCWCH,Terpenoids,Diterpenoids,Abietane diterpenoids,Vitex trifolia,1058581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex trifolia'],5,0,7.556509733200073
10328,801,-1,,,,0.63912743,ISDB,WTHUMSLQUHCWCH-UHFFFAOYSA-N,"InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17-18,21H,7,9-11H2,1-5H3",CC(C)c1ccc2c(c1)CCC1C2(C)CCC(O)C1(C)C,C20H30O,,286.22966558,WTHUMSLQUHCWCH,Terpenoids,Diterpenoids,Abietane diterpenoids,Vitex rotundifolia,962113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Vitex'],['Vitex rotundifolia'],5,0,7.556509733200073
10329,799,-1,,,,0.0,MS1_match,KNURQRIPZJJYQO-PJIMMEPBSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19+/m1/s1",O=c1oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.0485258879999,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],6,0,6.0
10330,799,-1,,,,0.0,MS1_match,KNURQRIPZJJYQO-PJIMMEPBSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19+/m1/s1",O=c1oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.0485258879999,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],6,0,6.0
10331,799,-1,,,,0.0,MS1_match,KNURQRIPZJJYQO-PJIMMEPBSA-N,"InChI=1S/C19H14O12/c20-6-1-4-9-10-5(18(27)30-15(9)12(6)23)2-8(13(24)16(10)31-17(4)26)29-19-14(25)11(22)7(21)3-28-19/h1-2,7,11,14,19-25H,3H2/t7-,11+,14-,19+/m1/s1",O=c1oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23,C19H14O12,pos_1_1proton1methanol,434.0485258879999,KNURQRIPZJJYQO,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Excoecaria agallocha,475587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria agallocha'],6,0,6.0
10332,799,-1,,,,0.0,MS1_match,BIBHMTRKBIBNBI-IAMLKPJMSA-N,"InChI=1S/C20H18O13/c21-7-1-5(2-8(22)12(7)24)19(29)31-4-10-14(26)16(28)18-17(32-10)11-6(20(30)33-18)3-9(23)13(25)15(11)27/h1-3,10,14,16-18,21-28H,4H2/t10-,14-,16+,17+,18-/m1/s1",O=C(OC[C@H]1O[C@H]2c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H18O13,pos_1_1proton,466.07474063599983,BIBHMTRKBIBNBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,0,6.0
10333,799,-1,,,,0.0,MS1_match,BIBHMTRKBIBNBI-IAMLKPJMSA-N,"InChI=1S/C20H18O13/c21-7-1-5(2-8(22)12(7)24)19(29)31-4-10-14(26)16(28)18-17(32-10)11-6(20(30)33-18)3-9(23)13(25)15(11)27/h1-3,10,14,16-18,21-28H,4H2/t10-,14-,16+,17+,18-/m1/s1",O=C(OC[C@H]1O[C@H]2c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H18O13,pos_1_1proton,466.07474063599983,BIBHMTRKBIBNBI,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,0,6.0
10334,799,-1,,,,0.0,MS1_match,SYWMLYSEFOKNQT-JZSYTWEISA-N,"InChI=1S/C20H18O13/c21-4-10-14(27)17(32-19(29)5-1-7(22)12(25)8(23)2-5)18-16(31-10)11-6(20(30)33-18)3-9(24)13(26)15(11)28/h1-3,10,14,16-18,21-28H,4H2/t10-,14-,16+,17+,18+/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2c3c(cc(O)c(O)c3O)C(=O)O[C@H]12)c1cc(O)c(O)c(O)c1,C20H18O13,pos_1_1proton,466.07474063599983,SYWMLYSEFOKNQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,0,6.0
10335,799,-1,,,,0.0,MS1_match,SYWMLYSEFOKNQT-JZSYTWEISA-N,"InChI=1S/C20H18O13/c21-4-10-14(27)17(32-19(29)5-1-7(22)12(25)8(23)2-5)18-16(31-10)11-6(20(30)33-18)3-9(24)13(26)15(11)28/h1-3,10,14,16-18,21-28H,4H2/t10-,14-,16+,17+,18+/m1/s1",O=C(O[C@H]1[C@H](O)[C@@H](CO)O[C@H]2c3c(cc(O)c(O)c3O)C(=O)O[C@H]12)c1cc(O)c(O)c(O)c1,C20H18O13,pos_1_1proton,466.07474063599983,SYWMLYSEFOKNQT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,0,6.0
10336,796,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44807371,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Antillogorgia americana,1079546.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Antillogorgia'],['Antillogorgia americana'],2,3,5.292294859886169
10337,796,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44807371,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Eunicea flexuosa,83530.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Eunicea'],['Eunicea flexuosa'],2,3,5.292294859886169
10338,796,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44807371,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Pseudopterogorgia americana,1079546.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Antillogorgia'],['Antillogorgia americana'],2,3,5.292294859886169
10339,796,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44807371,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Plexaura nina,3677592.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaura'],['Plexaura nina'],2,3,5.292294859886169
10340,796,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44807371,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Eunicea asperula,1084719.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Eunicea'],['Eunicea asperula'],2,3,5.292294859886169
10341,796,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44807371,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Plexaura homomalla,309745.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Plexaura'],['Plexaura homomalla'],2,3,5.292294859886169
10342,796,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.44807371,ISDB,RDEYORKJEDLLDB-UHFFFAOYSA-N,"InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h12-18,23H,2-11H2,1H3,(H,21,22)",CCCCCCCCCCCC=CC=CC(=CC=CC(=O)O)OO,C20H32O4,,336.230059504,RDEYORKJEDLLDB,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Muriceopsis flavida,352709.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Plexauridae'],['Unknown'],['Muriceopsis'],['Muriceopsis flavida'],2,3,5.292294859886169
10343,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-HONGMTQGSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m0/s1",O=C(O)CC(=O)OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Corchorus olitorius,578269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus olitorius'],4,3,9.376914978027344
10344,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-XTUREBQPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14?,18-,20+,21-,24?/m1/s1",O=C(O)CC(=O)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phyteuma orbiculare,743259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Campanulaceae'],['Unknown'],['Phyteuma'],['Phyteuma orbiculare'],4,3,9.376914978027344
10345,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichos,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],4,3,9.376914978027344
10346,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus adenotrichus,3906459.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus adenotrichos'],4,3,9.376914978027344
10347,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Rubus glaucus,896757.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Unknown'],['Rubus'],['Rubus glaucus'],4,3,9.376914978027344
10348,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,3,9.376914978027344
10349,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],4,3,9.376914978027344
10350,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Morus alba,658488.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Moraceae'],['Unknown'],['Morus'],['Morus alba'],4,3,9.376914978027344
10351,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-UJKBSQBPSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O,C24H22O15,,550.0958700039998,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Smyrnium olusatrum,478994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Apiales'],['Apiaceae'],['Smyrnieae'],['Smyrnium'],['Smyrnium olusatrum'],4,3,9.376914978027344
10352,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Humulus lupulus,84020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Cannabaceae'],['Unknown'],['Humulus'],['Humulus lupulus'],4,3,9.376914978027344
10353,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salicornia depressa,245804.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia virginica'],4,3,9.376914978027344
10354,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salicornia maritima,1024331.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia maritima'],4,3,9.376914978027344
10355,793,53,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.96922874,ISDB,NBQPHANHNTWDML-NWFUCLLXSA-N,"InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20-,21-,24+/m1/s1",O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@@H]1O,C24H22O15,,550.095870004,NBQPHANHNTWDML,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Salicornia europaea,138420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Chenopodiaceae'],['Unknown'],['Salicornia'],['Salicornia europaea'],4,3,9.376914978027344
10356,790,-1,,,,0.3317566,ISDB,WKOLLVMJNQIZCI-UHFFFAOYSA-N,"InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)",COc1cc(C(=O)O)ccc1O,C8H8O4,,168.042258736,WKOLLVMJNQIZCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,10.3270263671875
10357,789,-1,,,,0.0,MS1_match,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,pos_2MMg,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis pingraea,3898912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis angustifolia'],6,0,6.0
10358,789,-1,,,,0.0,MS1_match,UGSBWJKLOVIZMZ-UDDICAGYSA-N,"InChI=1S/C20H26O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,21,22)/t14-,17+,19+,20+/m1/s1",C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@H]2[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,UGSBWJKLOVIZMZ,Terpenoids,Diterpenoids,Halimane diterpenoids,Grangea maderaspatana,583700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grangea'],['Grangea maderaspatana'],6,0,6.0
10359,789,-1,,,,0.0,MS1_match,UGSBWJKLOVIZMZ-JBCDFXQESA-N,"InChI=1S/C20H26O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m1/s1",C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CC=C[C@@H]2[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,UGSBWJKLOVIZMZ,Terpenoids,Diterpenoids,Halimane diterpenoids,Diplostephium meyenii,6056191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Diplostephium'],['Diplostephium meyenii'],6,0,6.0
10360,789,-1,,,,0.0,MS1_match,NWPDPSDIKXGYIM-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-15(2)6-5-7-16(3)8-11-18-14-17(9-12-19(18)21)10-13-20(22)23-4/h6,8-10,12-14,21H,5,7,11H2,1-4H3",COC(=O)C=Cc1ccc(O)c(CC=C(C)CCC=C(C)C)c1,C20H26O3,pos_2MMg,314.188194692,NWPDPSDIKXGYIM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis obtusifolia,7600061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis obtusifolia'],6,0,6.0
10361,789,-1,,,,0.0,MS1_match,NWPDPSDIKXGYIM-QDZHRMJUSA-N,"InChI=1S/C20H26O3/c1-15(2)6-5-7-16(3)8-11-18-14-17(9-12-19(18)21)10-13-20(22)23-4/h6,8-10,12-14,21H,5,7,11H2,1-4H3/b13-10+,16-8+",COC(=O)/C=C/c1ccc(O)c(C/C=C(\C)CCC=C(C)C)c1,C20H26O3,pos_2MMg,314.188194692,NWPDPSDIKXGYIM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Baccharis linearifolia,7051197.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis linearifolia'],6,0,6.0
10362,789,-1,,,,0.0,MS1_match,MKAIEPBUFPWFEO-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-19(2)15-11-12-20(19,3)17(13-15)23-18(21)10-7-14-5-8-16(22-4)9-6-14/h5-10,15,17H,11-13H2,1-4H3",COc1ccc(C=CC(=O)OC2CC3CCC2(C)C3(C)C)cc1,C20H26O3,pos_2MMg,314.188194692,MKAIEPBUFPWFEO,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Verbesina virginica,3899858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Verbesina'],['Verbesina virginica'],6,0,6.0
10363,789,-1,,,,0.0,MS1_match,PHJADXZUQNOLEH-VEUUUYJLSA-N,"InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1",C=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O,C20H26O3,pos_2MMg,314.188194692,PHJADXZUQNOLEH,Polyketides,Aromatic polyketides,Depsidones,Grangea maderaspatana,583700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Grangea'],['Grangea maderaspatana'],6,0,6.0
10364,789,-1,,,,0.0,MS1_match,PHJADXZUQNOLEH-VEUUUYJLSA-N,"InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1",C=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O,C20H26O3,pos_2MMg,314.188194692,PHJADXZUQNOLEH,Polyketides,Aromatic polyketides,Depsidones,Diplostephium meyenii,6056191.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Diplostephium'],['Diplostephium meyenii'],6,0,6.0
10365,789,-1,,,,0.0,MS1_match,PHJADXZUQNOLEH-VEUUUYJLSA-N,"InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1",C=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O,C20H26O3,pos_2MMg,314.188194692,PHJADXZUQNOLEH,Polyketides,Aromatic polyketides,Depsidones,Pulicaria glutinosa,865965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria glutinosa'],6,0,6.0
10366,789,-1,,,,0.0,MS1_match,PHJADXZUQNOLEH-VEUUUYJLSA-N,"InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1",C=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O,C20H26O3,pos_2MMg,314.188194692,PHJADXZUQNOLEH,Polyketides,Aromatic polyketides,Depsidones,Eschenbachia japonica,914000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza japonica'],6,0,6.0
10367,789,-1,,,,0.0,MS1_match,PHJADXZUQNOLEH-VEUUUYJLSA-N,"InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1",C=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O,C20H26O3,pos_2MMg,314.188194692,PHJADXZUQNOLEH,Polyketides,Aromatic polyketides,Depsidones,Microglossa pyrifolia,6056085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Microglossa'],['Microglossa pyrifolia'],6,0,6.0
10368,789,-1,,,,0.0,MS1_match,PHJADXZUQNOLEH-VEUUUYJLSA-N,"InChI=1S/C20H26O3/c1-15-7-8-16(2)20(3,12-9-17-10-13-23-14-17)11-5-4-6-18(15)19(21)22/h4-6,10,13-14,16H,1,7-9,11-12H2,2-3H3,(H,21,22)/b5-4-,18-6+/t16-,20+/m1/s1",C=C1CC[C@@H](C)[C@](C)(CCc2ccoc2)C/C=C\C=C/1C(=O)O,C20H26O3,pos_2MMg,314.188194692,PHJADXZUQNOLEH,Polyketides,Aromatic polyketides,Depsidones,Nidorella ivifolia,7051132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella ivifolia'],6,0,6.0
10369,789,-1,,,,0.0,MS1_match,LHZDXRMTFYWFRM-KSEJUSODSA-N,"InChI=1S/C20H26O3/c1-7-13(4)19(22)23-18-15(12(2)3)11-17(21)16-10-8-9-14(5)20(16,18)6/h7,10-11,14,18H,2,8-9H2,1,3-6H3/b13-7-/t14-,18+,20+/m0/s1",C=C(C)C1=CC(=O)C2=CCC[C@H](C)[C@@]2(C)[C@@H]1OC(=O)/C(C)=C\C,C20H26O3,pos_2MMg,314.188194692,LHZDXRMTFYWFRM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Cineraria parvifolia,706564.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Cineraria parvifolia'],6,0,6.0
10370,789,-1,,,,0.0,MS1_match,LHZDXRMTFYWFRM-KSEJUSODSA-N,"InChI=1S/C20H26O3/c1-7-13(4)19(22)23-18-15(12(2)3)11-17(21)16-10-8-9-14(5)20(16,18)6/h7,10-11,14,18H,2,8-9H2,1,3-6H3/b13-7-/t14-,18+,20+/m0/s1",C=C(C)C1=CC(=O)C2=CCC[C@H](C)[C@@]2(C)[C@@H]1OC(=O)/C(C)=C\C,C20H26O3,pos_2MMg,314.188194692,LHZDXRMTFYWFRM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Cineraria aspera,244980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Cineraria aspera'],6,0,6.0
10371,789,-1,,,,0.0,MS1_match,LHZDXRMTFYWFRM-KSEJUSODSA-N,"InChI=1S/C20H26O3/c1-7-13(4)19(22)23-18-15(12(2)3)11-17(21)16-10-8-9-14(5)20(16,18)6/h7,10-11,14,18H,2,8-9H2,1,3-6H3/b13-7-/t14-,18+,20+/m0/s1",C=C(C)C1=CC(=O)C2=CCC[C@H](C)[C@@]2(C)[C@@H]1OC(=O)/C(C)=C\C,C20H26O3,pos_2MMg,314.188194692,LHZDXRMTFYWFRM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Cineraria erodioides,132057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Cineraria erodioides'],6,0,6.0
10372,789,-1,,,,0.0,MS1_match,LHZDXRMTFYWFRM-KSEJUSODSA-N,"InChI=1S/C20H26O3/c1-7-13(4)19(22)23-18-15(12(2)3)11-17(21)16-10-8-9-14(5)20(16,18)6/h7,10-11,14,18H,2,8-9H2,1,3-6H3/b13-7-/t14-,18+,20+/m0/s1",C=C(C)C1=CC(=O)C2=CCC[C@H](C)[C@@]2(C)[C@@H]1OC(=O)/C(C)=C\C,C20H26O3,pos_2MMg,314.188194692,LHZDXRMTFYWFRM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Cineraria britteniae,7608090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Cineraria britteniae'],6,0,6.0
10373,789,-1,,,,0.0,MS1_match,LHZDXRMTFYWFRM-KSEJUSODSA-N,"InChI=1S/C20H26O3/c1-7-13(4)19(22)23-18-15(12(2)3)11-17(21)16-10-8-9-14(5)20(16,18)6/h7,10-11,14,18H,2,8-9H2,1,3-6H3/b13-7-/t14-,18+,20+/m0/s1",C=C(C)C1=CC(=O)C2=CCC[C@H](C)[C@@]2(C)[C@@H]1OC(=O)/C(C)=C\C,C20H26O3,pos_2MMg,314.188194692,LHZDXRMTFYWFRM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Cineraria geifolia,792676.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cineraria'],['Cineraria geifolia'],6,0,6.0
10374,789,-1,,,,0.0,MS1_match,DKDGLQSOIBOYQO-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-14(2)6-9-17-12-16(8-11-19(21)23-5)13-18(20(17)22)10-7-15(3)4/h6-8,11-13,22H,9-10H2,1-5H3",COC(=O)C=Cc1cc(CC=C(C)C)c(O)c(CC=C(C)C)c1,C20H26O3,pos_2MMg,314.188194692,DKDGLQSOIBOYQO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Flourensia heterolepis,7605011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Flourensia'],['Flourensia heterolepis'],6,0,6.0
10375,789,-1,,,,0.0,MS1_match,GHYFYELCMNPFTP-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-13(2)9-20(21)23-12-18-15(4)11-22-19(18)10-17-8-6-7-14(3)16(17)5/h8-9,11H,6-7,10,12H2,1-5H3",CC(C)=CC(=O)OCc1c(C)coc1CC1=CCCC(C)=C1C,C20H26O3,pos_2MMg,314.188194692,GHYFYELCMNPFTP,Terpenoids,Sesquiterpenoids,Bisabolane sesquiterpenoids,Euryops jacksonii,7607794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops jacksonii'],6,0,6.0
10376,789,-1,,,,0.0,MS1_match,WIGZQIFKLCHSOH-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-13(2)7-9-17-11-19(15(5)21)12-18(10-8-14(3)4)20(17)23-16(6)22/h7-8,11-12H,9-10H2,1-6H3",CC(=O)Oc1c(CC=C(C)C)cc(C(C)=O)cc1CC=C(C)C,C20H26O3,pos_2MMg,314.188194692,WIGZQIFKLCHSOH,,,,Senecio gallicus,962474.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio gallicus'],6,0,6.0
10377,789,-1,,,,0.0,MS1_match,AAJDXWUEZJHCJH-AMZFBUOESA-N,"InChI=1S/C20H26O3/c1-6-12(2)10-15-16-13(18(22)23-15)11-14(21)17-19(3,4)8-7-9-20(16,17)5/h6,10-11,15-17H,1,7-9H2,2-5H3/b12-10+/t15-,16+,17-,20+/m1/s1",C=C/C(C)=C/[C@H]1OC(=O)C2=CC(=O)[C@@H]3C(C)(C)CCC[C@@]3(C)[C@@H]21,C20H26O3,pos_2MMg,314.188194692,AAJDXWUEZJHCJH,Terpenoids,Diterpenoids,Labdane diterpenoids,Rutidosis murchisonii,7607694.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Rutidosis'],['Rutidosis murchisonii'],6,0,6.0
10378,789,-1,,,,0.0,MS1_match,UJGRCUGTCSQZMV-MLPAPPSSSA-N,"InChI=1S/C20H26O3/c1-6-13(2)20(21)23-12-18-15(4)11-22-19(18)10-17-9-7-8-14(3)16(17)5/h6,9,11H,7-8,10,12H2,1-5H3/b13-6-",C/C=C(/C)C(=O)OCc1c(C)coc1CC1=CCCC(C)=C1C,C20H26O3,pos_2MMg,314.188194692,UJGRCUGTCSQZMV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Euryops hebecarpus,239032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops hebecarpus'],6,0,6.0
10379,789,-1,,,,0.0,MS1_match,UJGRCUGTCSQZMV-MLPAPPSSSA-N,"InChI=1S/C20H26O3/c1-6-13(2)20(21)23-12-18-15(4)11-22-19(18)10-17-9-7-8-14(3)16(17)5/h6,9,11H,7-8,10,12H2,1-5H3/b13-6-",C/C=C(/C)C(=O)OCc1c(C)coc1CC1=CCCC(C)=C1C,C20H26O3,pos_2MMg,314.188194692,UJGRCUGTCSQZMV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Euryops jacksonii,7607794.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops jacksonii'],6,0,6.0
10380,789,-1,,,,0.0,MS1_match,GYQICJPGOHABHH-SIKIZQCASA-N,"InChI=1S/C20H26O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,17H,3,5-7,9-10,13H2,1-2H3/t14-,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,GYQICJPGOHABHH,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Laennecia sophiifolia,583692.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Laennecia'],['Laennecia sophiifolia'],6,0,6.0
10381,789,-1,,,,0.0,MS1_match,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,pos_2MMg,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Gymnosperma glutinosum,19538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gymnosperma'],['Gymnosperma glutinosum'],6,0,6.0
10382,789,-1,,,,0.0,MS1_match,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,pos_2MMg,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis douglasii,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],6,0,6.0
10383,789,-1,,,,0.0,MS1_match,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,pos_2MMg,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],6,0,6.0
10384,789,-1,,,,0.0,MS1_match,SQFMZTFXAJGMNA-FXAWDEMLSA-N,"InChI=1S/C20H26O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,8-9,12-13,17H,4-5,7,10-11H2,1-3H3,(H,21,22)/t17-,20+/m0/s1",CC1(C)CCC[C@]2(C)C(CCc3ccoc3)=C(C(=O)O)C=C[C@@H]12,C20H26O3,pos_2MMg,314.188194692,SQFMZTFXAJGMNA,Terpenoids,Diterpenoids,Secolabdane diterpenoids,Baccharis glutinosa,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],6,0,6.0
10385,789,-1,,,,0.0,MS1_match,HERRARRWFUSVSA-MERDRXRJSA-N,"InChI=1S/C20H26O3/c1-15(2)6-4-9-18-10-11-19(23-20(18)21)16(3)7-5-8-17-12-13-22-14-17/h6-7,10,12-14,19H,4-5,8-9,11H2,1-3H3/b16-7+/t19-/m1/s1",CC(C)=CCCC1=CC[C@H](/C(C)=C/CCc2ccoc2)OC1=O,C20H26O3,pos_2MMg,314.188194692,HERRARRWFUSVSA,Terpenoids,Diterpenoids,Phytane diterpenoids,Nidorella elliotii,7598368.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella elliotii'],6,0,6.0
10386,789,-1,,,,0.0,MS1_match,UGNFHYJLMKPGRE-PPRPKMEESA-N,"InChI=1S/C20H26O3/c1-14-6-10-20-16(17(21)13-23-20)4-3-5-18(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,18H,3,5-7,9-10,13H2,1-2H3/t14-,18-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23OCC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,UGNFHYJLMKPGRE,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Heteropappus altaicus,820265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster altaicus'],6,0,6.0
10387,789,-1,,,,0.0,MS1_match,UGNFHYJLMKPGRE-PPRPKMEESA-N,"InChI=1S/C20H26O3/c1-14-6-10-20-16(17(21)13-23-20)4-3-5-18(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,18H,3,5-7,9-10,13H2,1-2H3/t14-,18-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23OCC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,UGNFHYJLMKPGRE,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Aster altaicus,820265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Aster'],['Aster altaicus'],6,0,6.0
10388,789,-1,,,,0.0,MS1_match,LFEINUNSYODISY-KWLVRGKZSA-N,"InChI=1S/C20H26O3/c1-13-11-17-20(3)15(18(21)23-17)5-4-6-16(20)19(13,2)9-7-14-8-10-22-12-14/h5,8,10,12-13,16-17H,4,6-7,9,11H2,1-3H3/t13-,16-,17+,19+,20+/m1/s1",C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCc1ccoc1)[C@]32C,C20H26O3,pos_2MMg,314.188194692,LFEINUNSYODISY,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Pulicaria salviifolia,1047245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Inuleae'],['Pulicaria'],['Pulicaria salviifolia'],6,0,6.0
10389,789,-1,,,,0.0,MS1_match,TUKQCXFKPBANNM-ZRIKKMCISA-N,"InChI=1S/C20H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)17-18-23-19(2)21/h3-6,9-12H,13-18H2,1-2H3/b4-3+,6-5+,10-9+,12-11+",C/C=C/C=C/C#C/C=C/C=C/CCCCC(=O)CCOC(C)=O,C20H26O3,pos_2MMg,314.188194692,TUKQCXFKPBANNM,,,,Cosmos sulphureus,964332.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Coreopsideae'],['Cosmos'],['Cosmos sulphureus'],6,0,6.0
10390,789,-1,,,,0.0,MS1_match,LDVYGJZVOMMAOC-GHPFTKJRSA-N,"InChI=1S/C20H26O3/c1-6-12(2)19(21)23-17-8-7-15-9-18-16(13(3)11-22-18)10-20(15,5)14(17)4/h6-7,11,14,17H,8-10H2,1-5H3/b12-6-/t14-,17-,20+/m0/s1",C/C=C(/C)C(=O)O[C@H]1CC=C2Cc3occ(C)c3C[C@]2(C)[C@H]1C,C20H26O3,pos_2MMg,314.188194692,LDVYGJZVOMMAOC,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio flavus,962472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio flavus'],6,0,6.0
10391,789,-1,,,,0.0,MS1_match,QRCJZDCXFSAWCM-UHFFFAOYSA-N,"InChI=1S/C20H26O3/c1-13-5-6-18-19(2,3)10-15(21)11-20(18,4)16(13)9-17(22)14-7-8-23-12-14/h7-8,12,16,18H,1,5-6,9-11H2,2-4H3",C=C1CCC2C(C)(C)CC(=O)CC2(C)C1CC(=O)c1ccoc1,C20H26O3,pos_2MMg,314.188194692,QRCJZDCXFSAWCM,Terpenoids,Diterpenoids,Labdane diterpenoids,Austroeupatorium inulifolium,332383.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Austroeupatorium'],['Austroeupatorium inulifolium'],6,0,6.0
10392,789,-1,,,,0.0,MS1_match,KSSYIBXTLHIBBX-PALWVLOZSA-N,"InChI=1S/C20H26O3/c1-16(2)6-5-7-17(3)14-15-23-19-11-8-18(9-12-19)10-13-20(21)22-4/h6,8-14H,5,7,15H2,1-4H3/b13-10?,17-14+",COC(=O)C=Cc1ccc(OC/C=C(\C)CCC=C(C)C)cc1,C20H26O3,pos_2MMg,314.188194692,KSSYIBXTLHIBBX,Shikimates and Phenylpropanoids,,,Helichrysum italicum,54015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Helichrysum'],['Helichrysum italicum'],6,0,6.0
10393,789,-1,,,,0.0,MS1_match,SYMWDBXAENHQLX-SIKIZQCASA-N,"InChI=1S/C20H26O3/c1-14-6-10-20-12-16(18(21)23-20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-13-15/h4,8,11,13-14,17H,3,5-7,9-10,12H2,1-2H3/t14-,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23CC(=CCC[C@@H]2[C@@]1(C)CCc1ccoc1)C(=O)O3,C20H26O3,pos_2MMg,314.188194692,SYMWDBXAENHQLX,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Nidorella ivifolia,7051132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella ivifolia'],6,0,6.0
10394,789,-1,,,,0.0,MS1_match,FVZVOUFAYLGDFW-COMUVSQZSA-N,"InChI=1S/C20H26O3/c1-6-12(2)19(21)23-18-17-13(3)11-22-16(17)10-15-9-7-8-14(4)20(15,18)5/h6,9,11,14,18H,7-8,10H2,1-5H3/b12-6-/t14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@H](C)[C@]21C,C20H26O3,pos_2MMg,314.188194692,FVZVOUFAYLGDFW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Lasiocephalus ovatus,187046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Lasiocephalus'],['Lasiocephalus ovatus'],6,0,6.0
10395,789,-1,,,,0.0,MS1_match,FVZVOUFAYLGDFW-COMUVSQZSA-N,"InChI=1S/C20H26O3/c1-6-12(2)19(21)23-18-17-13(3)11-22-16(17)10-15-9-7-8-14(4)20(15,18)5/h6,9,11,14,18H,7-8,10H2,1-5H3/b12-6-/t14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@H](C)[C@]21C,C20H26O3,pos_2MMg,314.188194692,FVZVOUFAYLGDFW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio macrotis,7609436.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio macrotis'],6,0,6.0
10396,789,-1,,,,0.0,MS1_match,FVZVOUFAYLGDFW-COMUVSQZSA-N,"InChI=1S/C20H26O3/c1-6-12(2)19(21)23-18-17-13(3)11-22-16(17)10-15-9-7-8-14(4)20(15,18)5/h6,9,11,14,18H,7-8,10H2,1-5H3/b12-6-/t14-,18+,20+/m0/s1",C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@H](C)[C@]21C,C20H26O3,pos_2MMg,314.188194692,FVZVOUFAYLGDFW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Euryops spathaceus,68573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops spathaceus'],6,0,6.0
10397,789,-1,,,,0.0,MS1_match,FVZVOUFAYLGDFW-GXVJKVMDSA-N,"InChI=1S/C20H26O3/c1-6-12(2)19(21)23-18-17-13(3)11-22-16(17)10-15-9-7-8-14(4)20(15,18)5/h6,9,11,14,18H,7-8,10H2,1-5H3/b12-6+/t14-,18+,20+/m0/s1",C/C=C(\C)C(=O)O[C@@H]1c2c(C)coc2CC2=CCC[C@H](C)[C@]21C,C20H26O3,pos_2MMg,314.188194692,FVZVOUFAYLGDFW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia pleurocaulis,119689.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia pleurocaulis'],6,0,6.0
10398,789,-1,,,,0.0,MS1_match,GYQICJPGOHABHH-SIKIZQCASA-N,"InChI=1S/C20H26O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,17H,3,5-7,9-10,13H2,1-2H3/t14-,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,GYQICJPGOHABHH,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Chromolaena pulchella,7603085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena pulchella'],6,0,6.0
10399,789,-1,,,,0.0,MS1_match,GYQICJPGOHABHH-SIKIZQCASA-N,"InChI=1S/C20H26O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,17H,3,5-7,9-10,13H2,1-2H3/t14-,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,GYQICJPGOHABHH,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Nidorella ivifolia,7051132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella ivifolia'],6,0,6.0
10400,789,-1,,,,0.0,MS1_match,GYQICJPGOHABHH-SIKIZQCASA-N,"InChI=1S/C20H26O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,17H,3,5-7,9-10,13H2,1-2H3/t14-,17-,19+,20-/m1/s1",C[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@@]1(C)CCc1ccoc1,C20H26O3,pos_2MMg,314.188194692,GYQICJPGOHABHH,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,Baccharis dracunculifolia,482153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis dracunculifolia'],6,0,6.0
10401,789,-1,,,,0.0,MS1_match,JZONYWULSJTTAI-IXFQNSDBSA-N,"InChI=1S/C20H26O3/c1-12-13-5-9-18(3)19(11-13,15(12)21)10-6-14-17(2)7-4-8-20(14,18)23-16(17)22/h13-14H,1,4-11H2,2-3H3/t13-,14-,17-,18+,19+,20+/m1/s1",C=C1C(=O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4(OC5=O)[C@@]2(C)CC[C@@H]1C3,C20H26O3,pos_2MMg,314.188194692,JZONYWULSJTTAI,Terpenoids,Diterpenoids,Norkaurane diterpenoids,Viguiera maculata,7606088.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Viguiera'],['Viguiera maculata'],6,0,6.0
10402,789,-1,,,,0.0,MS1_match,MFDMMMJTMZRMFM-JNAXZKDPSA-N,"InChI=1S/C20H26O3/c1-12(2)8-19(21)23-17-7-6-15-9-18-16(13(3)11-22-18)10-20(15,5)14(17)4/h6,8,11,14,17H,7,9-10H2,1-5H3/t14-,17+,20+/m0/s1",CC(C)=CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3C[C@]2(C)[C@H]1C,C20H26O3,pos_2MMg,314.188194692,MFDMMMJTMZRMFM,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Senecio flavus,962472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio flavus'],6,0,6.0
10403,788,-1,,,,0.3366089,ISDB,FIGNHNKYVQYJHG-UHFFFAOYSA-N,"InChI=1S/C18H31NO3/c1-4-5-6-9-12-16(20)13-10-7-8-11-14-17(21)19-15-18(2,3)22/h7-8,11,14,22H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)",CCCCCCC(=O)CCC=CC=CC(=O)NCC(C)(C)O,C18H31NO3,,309.230393852,FIGNHNKYVQYJHG,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum ailanthoides,806818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum ailanthoides'],1,0,2.346435546875
10404,787,403,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,0.0,MS1_match,XXWIUGNNANJILR-SNVBAGLBSA-N,"InChI=1S/C10H8O3/c11-9-6-8(10(12)13-9)7-4-2-1-3-5-7/h1-6,10,12H/t10-/m1/s1",O=C1C=C(c2ccccc2)[C@H](O)O1,C10H8O3,pos_1_1proton,176.047344116,XXWIUGNNANJILR,Shikimates and Phenylpropanoids,Diazotetronic acids and derivatives,Pulvinones,Phleum pratense,578767.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phleum'],['Phleum pratense'],6,3,7.5
10405,785,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,WBYWAXJHAXSJNI-UHFFFAOYSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)",O=C(O)C=Cc1ccccc1,C9H8O2,pos_1_1proton1methanol,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lagotis yunnanensis,5145175.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Lagotis'],['Lagotis yunnanensis'],7,1,7.5
10406,782,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.62799877,ISDB,MKFVHOZHTXBXCX-KSZLIROESA-N,"InChI=1S/C18H37NO2/c1-16-18(21)14-13-17(19-16)12-10-8-6-4-2-3-5-7-9-11-15-20/h16-21H,2-15H2,1H3/t16-,17+,18-/m0/s1",C[C@@H]1N[C@H](CCCCCCCCCCCCO)CC[C@@H]1O,C18H37NO2,,299.282429424,MKFVHOZHTXBXCX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Prosopis alba,66219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Mimoseae'],['Prosopis'],['Prosopis alba'],4,3,8.011995077133179
10407,778,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
10408,778,-1,,,,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
10409,778,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
10410,778,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
10411,778,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
10412,778,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
10413,778,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,0,6.0
10414,778,-1,,,,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton1ethylamine,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
10415,778,-1,,,,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1proton1ethylamine,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
10416,778,-1,,,,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton1ethylamine,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,0,6.0
10417,776,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8451267,ISDB,QBLQLKNOKUHRCH-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,QBLQLKNOKUHRCH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,3,11.880506753921509
10418,776,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8451267,ISDB,QBLQLKNOKUHRCH-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,QBLQLKNOKUHRCH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],7,3,11.880506753921509
10419,775,-1,,,,0.69526327,ISDB,FSHFTBIZLJLROH-UHFFFAOYSA-N,"InChI=1S/C20H25NO4/c1-21(2)10-9-13-6-8-16(22)20-15(13)7-5-14-11-18(23-3)19(24-4)12-17(14)25-20/h6,8,11-12,22H,5,7,9-10H2,1-4H3",COc1cc2c(cc1OC)Oc1c(O)ccc(CCN(C)C)c1CC2,C20H25NO4,,343.17835828,FSHFTBIZLJLROH,Shikimates and Phenylpropanoids,,,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,0,8.781053066253662
10420,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,BFKWILVOTONIQI-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,BFKWILVOTONIQI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10421,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,QWCWFWSASCMKEX-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,QWCWFWSASCMKEX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10422,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,ZBELSIALTHIOTO-HUFSBHEJSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)25(31)24(29)26(17)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24+,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,ZBELSIALTHIOTO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10423,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,SXGKGXOUXRBQMQ-KIBXAYQRSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,SXGKGXOUXRBQMQ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10424,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10425,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,3,9.5
10426,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia wallichii,3912272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia wallichii'],8,3,9.5
10427,773,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,LZNNPFFCMZVLLZ-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31-32H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,LZNNPFFCMZVLLZ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia kansuensis,3912731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansuensis'],8,3,9.5
10428,772,-1,,,,0.81710637,ISDB,OVEQSZKTJIUNHZ-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3",C=C1C2CC2C2(C)C=C3OC(=O)C(C)=C3CC12,C15H16O2,,228.115029752,OVEQSZKTJIUNHZ,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus tianmushanensis,6012232.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus tianmushanensis'],4,0,7.268425464630127
10429,772,-1,,,,0.81710637,ISDB,OVEQSZKTJIUNHZ-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3",C=C1C2CC2C2(C)C=C3OC(=O)C(C)=C3CC12,C15H16O2,,228.115029752,OVEQSZKTJIUNHZ,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus japonicus,815632.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus japonicus'],4,0,7.268425464630127
10430,772,-1,,,,0.81710637,ISDB,OVEQSZKTJIUNHZ-UHFFFAOYSA-N,"InChI=1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3",C=C1C2CC2C2(C)C=C3OC(=O)C(C)=C3CC12,C15H16O2,,228.115029752,OVEQSZKTJIUNHZ,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Chloranthus serratus,569909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Chloranthus'],['Chloranthus serratus'],4,0,7.268425464630127
10431,772,-1,,,,0.81710637,ISDB,OVEQSZKTJIUNHZ-JDTTZNEISA-N,"InChI=1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3/t9-,11+,12-,15-/m1/s1",C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12,C15H16O2,,228.115029752,OVEQSZKTJIUNHZ,Terpenoids,Sesquiterpenoids,Cycloeudesmane sesquiterpenoids,Sarcandra glabra,650198.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Chloranthales'],['Chloranthaceae'],['Unknown'],['Sarcandra'],['Sarcandra glabra'],4,0,7.268425464630127
10432,769,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.4180797,ISDB,OLPVLGPCVTYBMB-AZUAARDMSA-N,"InChI=1S/C20H24O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h6-8,11-12,18H,5,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1C=C2,C20H24O,,280.182715388,OLPVLGPCVTYBMB,Terpenoids,Diterpenoids,Podocarpane diterpenoids,Bowdichia nitida,326067.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Leptolobieae'],['Bowdichia'],['Bowdichia nitida'],4,2,6.672318816184998
10433,767,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.98052007,ISDB,,,,,,,LOSHAHDSFZXVCT,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.9220802783966064
10434,766,760,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,DRTQHJPVMGBUCF-XVFCMESISA-N,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C9H12N2O6,pos_2_1magnesium,244.069536104,DRTQHJPVMGBUCF,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
10435,766,760,Shikimates and Phenylpropanoids,Isoflavonoids,Isoflavones,0.0,MS1_match,DRTQHJPVMGBUCF-XVFCMESISA-N,"InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1",O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,C9H12N2O6,pos_2_1magnesium,244.069536104,DRTQHJPVMGBUCF,Carbohydrates,Nucleosides,Pyrimidine nucleos(t)ides,Oryza aristata,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
10436,765,173,Terpenoids,Sesquiterpenoids,Merohemiterpenoids,0.46790385,ISDB,XZYIQKMSOAQJCG-UHFFFAOYSA-N,"InChI=1S/C10H20O3S/c1-14(13)9-7-5-3-2-4-6-8-10(11)12/h2-9H2,1H3,(H,11,12)",C[S+]([O-])CCCCCCCCC(=O)O,C10H20O3S,,220.1133155,XZYIQKMSOAQJCG,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,0,8.871615409851074
10437,763,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6954602,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Gmelina asiatica,3883027.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Unknown'],['Gmelina'],['Gmelina asiatica'],4,1,7.281840801239014
10438,763,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6954602,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Philotheca obovalis,6126545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Philotheca'],['Philotheca obovalis'],4,1,7.281840801239014
10439,763,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6954602,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Sideritis infernalis,218370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Stachydeae'],['Sideritis'],['Sideritis infernalis'],4,1,7.281840801239014
10440,763,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6954602,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Piper philippinum,290828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nudibaccatum'],4,1,7.281840801239014
10441,763,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6954602,ISDB,VEZIKIAGFYZTCI-YVMONPNESA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3/b8-5-",COC(=O)/C=C\c1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Haplophyllum latifolium,762596.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Haplophyllum'],['Haplophyllum latifolium'],4,1,7.281840801239014
10442,763,64,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.6954602,ISDB,VEZIKIAGFYZTCI-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-8H,1-2H3",COC(=O)C=Cc1ccc(OC)cc1,C11H12O3,,192.078644244,VEZIKIAGFYZTCI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scrophularia buergeriana,764427.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Scrophulariaceae'],['Scrophularieae'],['Scrophularia'],['Scrophularia buergeriana'],4,1,7.281840801239014
10443,759,-1,,,,0.0,MS1_match,JDXJTMWWGZXTGE-FVSNMVKCSA-N,"InChI=1S/C33H42O9/c1-19-14-15-32(7,8)28(37)17-27(39-22(4)34)20(2)16-26-29(41-31(38)25-12-10-9-11-13-25)21(3)18-33(26,42-24(6)36)30(19)40-23(5)35/h9-16,19,21,26-27,29-30H,17-18H2,1-8H3/b15-14-,20-16-/t19-,21-,26+,27-,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O9,pos_1_1proton1ethylamine,582.2828829239999,JDXJTMWWGZXTGE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
10444,759,-1,,,,0.0,MS1_match,NGDYOIKDURHVFB-HSFANBJSSA-N,"InChI=1S/C33H42O9/c1-20-15-16-32(6,7)28(37)18-26(39-22(3)34)13-14-27-30(41-29(38)17-25-11-9-8-10-12-25)21(2)19-33(27,42-24(5)36)31(20)40-23(4)35/h8-16,20-21,26-27,30-31H,17-19H2,1-7H3/b14-13+,16-15+/t20-,21+,26+,27+,30+,31+,33-/m1/s1",CC(=O)O[C@H]1/C=C/[C@H]2[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)/C=C/C(C)(C)C(=O)C1,C33H42O9,pos_1_1proton1ethylamine,582.282882924,NGDYOIKDURHVFB,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
10445,758,415,Terpenoids,Diterpenoids,Xeniaphyllane diterpenoids,0.3456244,ISDB,ZZFAIQNFWFDKQO-YYAJDYIMSA-N,"InChI=1S/C19H32O4/c1-13-7-6-10-18(3,4)15(13)8-11-19(5)12-9-16(22-23-19)14(2)17(20)21/h14-16H,1,6-12H2,2-5H3,(H,20,21)/t14-,15+,16-,19-/m1/s1",C=C1CCCC(C)(C)[C@H]1CC[C@]1(C)CC[C@H]([C@@H](C)C(=O)O)OO1,C19H32O4,,324.230059504,ZZFAIQNFWFDKQO,Terpenoids,Diterpenoids,Cyclophytane diterpenoids,Negombata corticata,157570.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Poecilosclerida'],['Latrunculiidae'],['Unknown'],['Negombata'],['Negombata corticata'],2,2,4.382497549057007
10446,757,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,ZLSYCIYRYZUJCZ-MTXMLOAPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-35(33(45)31(43)28(17-41)49-37)50-36-34(46)32(44)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33-,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_2_2proton,705.445197216,ZLSYCIYRYZUJCZ,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10447,757,569,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.0,MS1_match,IBVPROGUDFDQRN-ZFRVHUQPSA-N,"InChI=1S/C39H63NO10/c1-18-6-9-26-19(2)29-27(40(26)16-18)15-25-23-8-7-21-14-22(10-12-38(21,4)24(23)11-13-39(25,29)5)48-37-34(46)32(44)35(28(17-41)49-37)50-36-33(45)31(43)30(42)20(3)47-36/h7,18-20,22-37,41-46H,6,8-17H2,1-5H3/t18-,19+,20-,22-,23+,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-/m0/s1",C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1,C39H63NO10,pos_2_2proton,705.445197216,IBVPROGUDFDQRN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10448,756,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1potassium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
10449,756,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1potassium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
10450,756,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1potassium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon serrulatus,673703.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon serrulatus'],6,0,6.0
10451,756,-1,,,,0.0,MS1_match,XUWSHXDEJOOIND-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)4-7(17)15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21,C15H24O10,pos_1_1potassium,364.1369469679999,XUWSHXDEJOOIND,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
10452,756,-1,,,,0.0,MS1_match,NYCXYIWXBJWWIL-PZYDOOQISA-N,"InChI=1S/C15H24O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h5-14,16-21H,1-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H24O10,pos_1_1potassium,364.1369469679999,NYCXYIWXBJWWIL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
10453,756,-1,,,,0.0,MS1_match,XPRBGBUKKZEUFV-YYDKPPGPSA-N,"InChI=1S/C15H24O10/c1-14(21)7(17)4-15(22)2-3-23-13(11(14)15)25-12-10(20)9(19)8(18)6(5-16)24-12/h2-3,6-13,16-22H,4-5H2,1H3/t6-,7-,8-,9+,10-,11-,12+,13+,14+,15-/m1/s1",C[C@]1(O)[C@H](O)C[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H24O10,pos_1_1potassium,364.136946968,XPRBGBUKKZEUFV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Angelonia integerrima,5783475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Angelonieae'],['Angelonia'],['Angelonia integerrima'],6,0,6.0
10454,755,76,Terpenoids,Naphthalenes,Isoindole alkaloids,0.0,MS1_match,ZUANWKXIWLOPFL-IRFZKGKOSA-N,"InChI=1S/C26H38O13/c1-10-4-11-13(5-14(28)12-6-35-21(16(11)12)17(10)29)25(2,3)39-23-20(32)19(31)18(30)15(38-23)7-36-24-22(33)26(34,8-27)9-37-24/h6,10-11,13-15,18-20,22-24,27-28,30-34H,4-5,7-9H2,1-3H3/t10-,11+,13-,14+,15+,18+,19-,20+,22-,23-,24+,26+/m0/s1",C[C@H]1C[C@H]2c3c(coc3C1=O)[C@H](O)C[C@@H]2C(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C26H38O13,pos_2MCa,558.231241276,ZUANWKXIWLOPFL,Terpenoids,,,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,1,6.5
10455,755,76,Terpenoids,Naphthalenes,Isoindole alkaloids,0.0,MS1_match,ZUANWKXIWLOPFL-IRFZKGKOSA-N,"InChI=1S/C26H38O13/c1-10-4-11-13(5-14(28)12-6-35-21(16(11)12)17(10)29)25(2,3)39-23-20(32)19(31)18(30)15(38-23)7-36-24-22(33)26(34,8-27)9-37-24/h6,10-11,13-15,18-20,22-24,27-28,30-34H,4-5,7-9H2,1-3H3/t10-,11+,13-,14+,15+,18+,19-,20+,22-,23-,24+,26+/m0/s1",C[C@H]1C[C@H]2c3c(coc3C1=O)[C@H](O)C[C@@H]2C(C)(C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C26H38O13,pos_2MCa,558.231241276,ZUANWKXIWLOPFL,Terpenoids,,,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,1,6.5
10456,754,223,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.23555237,ISDB,LYMNQFZEIGCRGT-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h4-5,11H,6-8H2,1-3H3",CC(=O)C=CC1C2(C)COC1(C)CC(=O)C2,C13H18O3,,222.125594436,LYMNQFZEIGCRGT,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,10.442209482192993
10457,753,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.47880152,ISDB,SAMOBDXITATWFO-GBQWXGIDSA-N,"InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-38,40-42,44-47H,12-13H2/t23-,26-,28+,29+,30+,31-,33-,34+,35-/m1/s1",O=C(C=Cc1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c(=O)cc(O)cc-3oc2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O,C35H34O18,,742.174514248,SAMOBDXITATWFO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Camellia reticulata,83755.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia reticulata'],4,2,6.915206074714661
10458,753,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.47880152,ISDB,SAMOBDXITATWFO-GCNWMLFFSA-N,"InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-38,40-42,44-47H,12-13H2/t23-,26+,28-,29+,30-,31-,33+,34-,35+/m0/s1",O=C(C=Cc1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2cc3c(=O)cc(O)cc-3oc2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O,C35H34O18,,742.174514248,SAMOBDXITATWFO,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Begonia,530190.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Cucurbitales'],['Begoniaceae'],['Unknown'],['Begonia'],['Unknown'],4,2,6.915206074714661
10459,752,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.0,MS1_match,XBZLKENMOXIMDN-AFJQJTPPSA-N,"InChI=1S/C22H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h5-6,8-9,17,24H,3-4,7,10-16H2,1-2H3/b6-5-,9-8-",CCC/C=C\C/C=C\CCCCCCCC1=C(O)C(=O)C=C(OC)C1=O,C22H32O4,pos_2MCH3CNNa,360.23005950399994,XBZLKENMOXIMDN,Polyketides,Aromatic polyketides,Aromatic polyketides with side chains,Sorghum bicolor,552986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum bicolor'],6,0,6.0
10460,751,-1,,,,0.0,MS1_match,YOYRSOYUXNJBMN-SBFVYLSTSA-N,"InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20-",CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)C1(C)CC(=O)CC1(C)C)/C=C/C(=O)C1(C)CC(=O)CC1(C)C,C40H52O4,pos_2_2proton,596.386560144,YOYRSOYUXNJBMN,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10461,750,-1,,,,0.0,MS1_match,LYGPBZVKGHHTIE-GZTBKJGFSA-N,"InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19+,20-,21+,22+,23-,25+,26-,27+/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_2_2sodium,578.16355564,LYGPBZVKGHHTIE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10462,750,-1,,,,0.0,MS1_match,LYGPBZVKGHHTIE-GZTBKJGFSA-N,"InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19+,20-,21+,22+,23-,25+,26-,27+/m1/s1",C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@H]2c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_2_2sodium,578.16355564,LYGPBZVKGHHTIE,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10463,750,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_2_2sodium,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10464,750,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2sodium,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lycianthes synanthera,864336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes synanthera'],6,0,6.0
10465,750,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_2_2sodium,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10466,750,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-SLNHTJRHSA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2sodium,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Lycianthes synanthera,864336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Lycianthes'],['Lycianthes synanthera'],6,0,6.0
10467,750,-1,,,,0.0,MS1_match,RPMNUQRUHXIGHK-SBDOOABHSA-N,"InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21+,22-,23-,24+,25+,26-,27+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_2_2sodium,578.16355564,RPMNUQRUHXIGHK,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10468,748,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FQKGNOGAGLOTLV-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-21-17(27)15-12(25)6-11(31-22-19(29)18(28)16(26)14(8-23)33-22)7-13(15)32-20(21)9-2-4-10(24)5-3-9/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3",COc1c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2c1=O,C22H22O11,pos_1_1proton1ethylamine,462.116211524,FQKGNOGAGLOTLV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,1,8.5
10469,748,534,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,FQKGNOGAGLOTLV-UHFFFAOYSA-N,"InChI=1S/C22H22O11/c1-30-21-17(27)15-12(25)6-11(31-22-19(29)18(28)16(26)14(8-23)33-22)7-13(15)32-20(21)9-2-4-10(24)5-3-9/h2-7,14,16,18-19,22-26,28-29H,8H2,1H3",COc1c(-c2ccc(O)cc2)oc2cc(OC3OC(CO)C(O)C(O)C3O)cc(O)c2c1=O,C22H22O11,pos_1_1proton1ethylamine,462.116211524,FQKGNOGAGLOTLV,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Solanum,1020645.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Unknown'],8,1,8.5
10470,747,50,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.24835195,ISDB,OCUONUXNKYDHKY-PZBKSWHFSA-N,"InChI=1S/C31H39NO4/c1-6-20-12-18(4)25-24-23(20)27(33)22-15-31(35,32-29(22)34)14-19-7-9-21(10-8-19)36-28(24)26-17(3)11-16(2)13-30(25,26)5/h6-10,12,16-17,20,22-26,28,35H,1,11,13-15H2,2-5H3,(H,32,34)/t16-,17+,20-,22+,23+,24-,25+,26+,28+,30+,31-/m1/s1",C=C[C@@H]1C=C(C)[C@H]2[C@@H]3[C@H](Oc4ccc(cc4)C[C@@]4(O)C[C@H](C(=O)N4)C(=O)[C@@H]13)[C@@H]1[C@@H](C)C[C@@H](C)C[C@]12C,C31H39NO4,,489.287908728,OCUONUXNKYDHKY,Alkaloids,Tetramate alkaloids,Pyrrocidine tetramate alkaloids,Nectria ramulariae,523791.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Nectriaceae'],['Unknown'],['Nectria'],['Nectria ramulariae'],1,0,1.9934077858924866
10471,745,148,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.37953055,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Limnophila repens,6072982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Limnophila'],['Limnophila repens'],6,3,9.01812219619751
10472,745,148,Terpenoids,Monoterpenoids,Menthane monoterpenoids,0.37953055,ISDB,HFPZCAJZSCWRBC-UHFFFAOYSA-N,"InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3",Cc1ccc(C(C)C)cc1,C10H14,,134.109550448,HFPZCAJZSCWRBC,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Conobea scoparioides,6072828.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Conobea'],['Conobea scoparioides'],6,3,9.01812219619751
10473,743,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_2MH,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10474,743,303,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_2MH,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
10475,742,1060,Polyketides,Phloroglucinols,Dimeric phloroglucinols,0.0,MS1_match,SQALCPJFAWTHAD-UHFFFAOYSA-N,"InChI=1S/C27H34O8/c1-7-8-9-19(29)21-24(32)16(11-10-13(2)3)23(31)17(25(21)33)12-18-26(34)20(15(5)28)22(30)14(4)27(18)35-6/h10,30-34H,7-9,11-12H2,1-6H3",CCCCC(=O)c1c(O)c(CC=C(C)C)c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c1O,C27H34O8,pos_2_2sodium,486.225368048,SQALCPJFAWTHAD,Polyketides,Phloroglucinols,Dimeric phloroglucinols,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,3,7.5
10476,741,-1,,,,0.0,MS1_match,XTDYIOOONNVFMA-UHFFFAOYSA-N,"InChI=1S/C7H12O4/c1-10-6(8)4-3-5-7(9)11-2/h3-5H2,1-2H3",COC(=O)CCCC(=O)OC,C7H12O4,pos_2MK,160.073558864,XTDYIOOONNVFMA,Fatty acids,Fatty esters,Wax monoesters,Launaea resedifolia,7621166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Launaea'],['Launaea resedifolia'],6,0,6.0
10477,741,-1,,,,0.0,MS1_match,FGWQLELTAIGUHG-FGKYSUEKSA-N,"InChI=1S/C17H20O7/c1-8-7-11(22-10(3)18)12-9(2)15(19)23-13(12)14-16(4,24-21)5-6-17(8,14)20/h5-6,11-14,20-21H,1-2,7H2,3-4H3/t11-,12+,13-,14-,16+,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)CC(=C)[C@]1(O)C=C[C@@](C)(OO)[C@H]21,C17H20O7,pos_1_1sodium,336.12090298,FGWQLELTAIGUHG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Bishopanthus soliceps,7610635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Bishopanthus'],['Bishopanthus soliceps'],6,0,6.0
10478,741,-1,,,,0.0,MS1_match,YQEIZFUUAYCBQU-FGKYSUEKSA-N,"InChI=1S/C17H20O7/c1-8-7-11(22-10(3)18)12-9(2)15(19)23-13(12)14-16(4,20)5-6-17(8,14)24-21/h5-6,11-14,20-21H,1-2,7H2,3-4H3/t11-,12+,13-,14-,16+,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)CC(=C)[C@]1(OO)C=C[C@@](C)(O)[C@H]21,C17H20O7,pos_1_1sodium,336.12090298,YQEIZFUUAYCBQU,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Bishopanthus soliceps,7610635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Unknown'],['Bishopanthus'],['Bishopanthus soliceps'],6,0,6.0
10479,741,-1,,,,0.0,MS1_match,FOXVJGRKTTWEEP-YWZWGDCMSA-N,"InChI=1S/C17H20O7/c1-9-14-13(24-17(9)22)6-11(7-18)4-3-5-12(8-19)16(15(14)21)23-10(2)20/h5-6,8,13-16,18,21H,1,3-4,7H2,2H3/b11-6+,12-5-/t13-,14+,15+,16+/m1/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](O)[C@@H]12,C17H20O7,pos_1_1sodium,336.12090298,FOXVJGRKTTWEEP,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Lecocarpus pinnatifidus,815358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Lecocarpus'],['Lecocarpus pinnatifidus'],6,0,6.0
10480,741,-1,,,,0.0,MS1_match,GJZCYYPVEVTANZ-RCSLCFTFSA-N,"InChI=1S/C17H20O7/c1-8-15-13(23-16(8)20)5-10(7-18)3-4-12(22-9(2)19)11-6-14(15)24-17(11)21/h6,10,12-15,18H,1,3-5,7H2,2H3/t10-,12+,13-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@H](CO)CC[C@H](OC(C)=O)C3=C[C@@H](OC3=O)[C@@H]12,C17H20O7,pos_1_1sodium,336.12090298,GJZCYYPVEVTANZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Melampodium leucanthum,824824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Melampodium'],['Melampodium leucanthum'],6,0,6.0
10481,741,-1,,,,0.0,MS1_match,GJZCYYPVEVTANZ-BGNCJLHMSA-N,"InChI=1S/C17H20O7/c1-8-15-13(23-16(8)20)5-10(7-18)3-4-12(22-9(2)19)11-6-14(15)24-17(11)21/h6,10,12-15,18H,1,3-5,7H2,2H3/t10-,12+,13+,14-,15-/m1/s1",C=C1C(=O)O[C@H]2C[C@H](CO)CC[C@H](OC(C)=O)C3=C[C@@H](OC3=O)[C@H]12,C17H20O7,pos_1_1sodium,336.12090298,GJZCYYPVEVTANZ,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Melampodium cinereum,307641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Melampodium'],['Melampodium cinereum'],6,0,6.0
10482,741,-1,,,,0.0,MS1_match,GWCCKOPANXZXHK-RTXDRFAKSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(19)16(4,22-9(2)18)17-6-5-15(3,23-24-17)13(17)12(10)21-14(8)20/h5-6,10-13,19H,1,7H2,2-4H3/t10-,11+,12-,13-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(C)=O)[C@]13C=C[C@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,GWCCKOPANXZXHK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea ligustica,921025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea ligustica'],6,0,6.0
10483,741,-1,,,,0.0,MS1_match,GWCCKOPANXZXHK-GWMRQPHLSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(19)16(4,22-9(2)18)17-6-5-15(3,23-24-17)13(17)12(10)21-14(8)20/h5-6,10-13,19H,1,7H2,2-4H3/t10-,11+,12-,13-,15+,16+,17-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(C)=O)[C@@]13C=C[C@@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.1209029799999,GWCCKOPANXZXHK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],6,0,6.0
10484,741,-1,,,,0.0,MS1_match,GWCCKOPANXZXHK-RTXDRFAKSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(19)16(4,22-9(2)18)17-6-5-15(3,23-24-17)13(17)12(10)21-14(8)20/h5-6,10-13,19H,1,7H2,2-4H3/t10-,11+,12-,13-,15-,16+,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(C)=O)[C@]13C=C[C@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,GWCCKOPANXZXHK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea ligustica,921025.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea ligustica'],6,0,6.0
10485,741,-1,,,,0.0,MS1_match,GWCCKOPANXZXHK-GWMRQPHLSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(19)16(4,22-9(2)18)17-6-5-15(3,23-24-17)13(17)12(10)21-14(8)20/h5-6,10-13,19H,1,7H2,2-4H3/t10-,11+,12-,13-,15+,16+,17-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](O)[C@@](C)(OC(C)=O)[C@@]13C=C[C@@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.1209029799999,GWCCKOPANXZXHK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea millefolium,828103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea millefolium'],6,0,6.0
10486,741,-1,,,,0.0,MS1_match,LRQZOMZNYZRPAR-NCCYPTPYSA-N,"InChI=1S/C17H20O7/c1-7-12-13-16(3)9(15(20)23-13)4-5-11(22-8(2)18)10(16)6-17(12,21)24-14(7)19/h9-11,13,21H,4-6H2,1-3H3/t9-,10+,11-,13+,16-,17+/m1/s1",CC(=O)O[C@@H]1CC[C@@H]2C(=O)O[C@H]3C4=C(C)C(=O)O[C@@]4(O)C[C@@H]1[C@@]23C,C17H20O7,pos_1_1sodium,336.12090298,LRQZOMZNYZRPAR,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Ligularia hodgsonii,619949.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Ligularia'],['Ligularia hodgsonii'],6,0,6.0
10487,741,-1,,,,0.0,MS1_match,VTUNUNBHNPFHGT-FGKYSUEKSA-N,"InChI=1S/C17H20O7/c1-7-5-10(19)13-16(4,21)6-11(23-9(3)18)12-8(2)15(20)24-14(12)17(7,13)22/h5,11-14,21-22H,2,6H2,1,3-4H3/t11-,12+,13-,14-,16+,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@](C)(O)[C@@H]1C(=O)C=C(C)[C@@]12O,C17H20O7,pos_1_1sodium,336.12090298,VTUNUNBHNPFHGT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia anomala,704214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia anomala'],6,0,6.0
10488,741,-1,,,,0.0,MS1_match,UPPMAHKCRBJIQR-HGCAEMCISA-N,"InChI=1S/C17H20O7/c1-8-7-11(22-10(3)18)12-9(2)15(19)23-13(12)14-16(4,20)5-6-17(8,14)24-21/h5-7,11-14,20-21H,2H2,1,3-4H3/t11-,12+,13-,14-,16-,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C=C(C)[C@]1(OO)C=C[C@](C)(O)[C@H]21,C17H20O7,pos_1_1sodium,336.12090298,UPPMAHKCRBJIQR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia afra,119275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia afra'],6,0,6.0
10489,741,-1,,,,0.0,MS1_match,RBTASFJHBXTVBL-HGCAEMCISA-N,"InChI=1S/C17H20O7/c1-8-7-11(22-10(3)18)12-9(2)15(19)23-13(12)14-16(4,24-21)5-6-17(8,14)20/h5-7,11-14,20-21H,2H2,1,3-4H3/t11-,12+,13-,14-,16-,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C=C(C)[C@]1(O)C=C[C@](C)(OO)[C@H]21,C17H20O7,pos_1_1sodium,336.12090298,RBTASFJHBXTVBL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia afra,119275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia afra'],6,0,6.0
10490,741,-1,,,,0.0,MS1_match,DLYNLFNMERBQKG-UHFFFAOYSA-N,"InChI=1S/C17H20O7/c1-8-11-10(21-9(2)18)7-16(4,20)17-6-5-15(3,23-24-17)13(17)12(11)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3",C=C1C(=O)OC2C1C(OC(C)=O)CC(C)(O)C13C=CC(C)(OO1)C23,C17H20O7,pos_1_1sodium,336.12090298,DLYNLFNMERBQKG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia montana,33634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia montana'],6,0,6.0
10491,741,-1,,,,0.0,MS1_match,ZLXIFWIIPCMMHF-BJVHOVFPSA-N,"InChI=1S/C17H20O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12-,13+,15+,16+,17-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,ZLXIFWIIPCMMHF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia montana,33634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia montana'],6,0,6.0
10492,741,-1,,,,0.0,MS1_match,ZLXIFWIIPCMMHF-UHFFFAOYSA-N,"InChI=1S/C17H20O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h8-13,20H,1,5H2,2-4H3",C=C1C(=O)OC2C1C(OC(C)=O)CC(C)(O)C13OC1C1OC1(C)C23,C17H20O7,pos_1_1sodium,336.12090298,ZLXIFWIIPCMMHF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia lancea,7050942.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia lancea'],6,0,6.0
10493,741,-1,,,,0.0,MS1_match,ZLXIFWIIPCMMHF-UHFFFAOYSA-N,"InChI=1S/C17H20O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h8-13,20H,1,5H2,2-4H3",C=C1C(=O)OC2C1C(OC(C)=O)CC(C)(O)C13OC1C1OC1(C)C23,C17H20O7,pos_1_1sodium,336.12090298,ZLXIFWIIPCMMHF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia feddei,890379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia feddei'],6,0,6.0
10494,741,-1,,,,0.0,MS1_match,ALQWQVLQHXAWBI-GOPKLMFMSA-N,"InChI=1S/C17H20O7/c1-7-14-11-4-9(16(20)22-11)10(21-8(2)18)5-13-17(3,24-13)6-12(14)23-15(7)19/h4,7,10-14H,5-6H2,1-3H3/t7-,10+,11-,12+,13-,14-,17+/m1/s1",CC(=O)O[C@H]1C[C@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2C=C1C(=O)O2,C17H20O7,pos_1_1sodium,336.1209029799999,ALQWQVLQHXAWBI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania trachypleura,7051528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania trachypleura'],6,0,6.0
10495,741,-1,,,,0.0,MS1_match,ZLXIFWIIPCMMHF-UHFFFAOYSA-N,"InChI=1S/C17H20O7/c1-6-9-8(21-7(2)18)5-15(3,20)17-11(10(9)22-14(6)19)16(4)12(23-16)13(17)24-17/h8-13,20H,1,5H2,2-4H3",C=C1C(=O)OC2C1C(OC(C)=O)CC(C)(O)C13OC1C1OC1(C)C23,C17H20O7,pos_1_1sodium,336.12090298,ZLXIFWIIPCMMHF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia tripartita,202523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia tripartita'],6,0,6.0
10496,741,-1,,,,0.0,MS1_match,ALQWQVLQHXAWBI-WBNOIMIKSA-N,"InChI=1S/C17H20O7/c1-7-14-11-4-9(16(20)22-11)10(21-8(2)18)5-13-17(3,24-13)6-12(14)23-15(7)19/h4,7,10-14H,5-6H2,1-3H3/t7-,10-,11+,12-,13-,14-,17-/m0/s1",CC(=O)O[C@H]1C[C@@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H]2C=C1C(=O)O2,C17H20O7,pos_1_1sodium,336.12090298,ALQWQVLQHXAWBI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania cordata,44709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordata'],6,0,6.0
10497,741,-1,,,,0.0,MS1_match,ALQWQVLQHXAWBI-GOPKLMFMSA-N,"InChI=1S/C17H20O7/c1-7-14-11-4-9(16(20)22-11)10(21-8(2)18)5-13-17(3,24-13)6-12(14)23-15(7)19/h4,7,10-14H,5-6H2,1-3H3/t7-,10+,11-,12+,13-,14-,17+/m1/s1",CC(=O)O[C@H]1C[C@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H]2C=C1C(=O)O2,C17H20O7,pos_1_1sodium,336.1209029799999,ALQWQVLQHXAWBI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania trachypleura,7051528.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania trachypleura'],6,0,6.0
10498,741,-1,,,,0.0,MS1_match,NULDVXWORWTDNM-ZCFIWIBFSA-N,"InChI=1S/C7H12O4/c1-5(2)4-10-7(8)6(3)11-9/h6,9H,1,4H2,2-3H3/t6-/m1/s1",C=C(C)COC(=O)[C@@H](C)OO,C7H12O4,pos_2MK,160.073558864,NULDVXWORWTDNM,,,,Chamaemelum nobile,472684.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chamaemelum'],['Chamaemelum nobile'],6,0,6.0
10499,741,-1,,,,0.0,MS1_match,HGZUDBQQCCXOAZ-OBXMLSIUSA-N,"InChI=1S/C17H20O7/c1-7-5-11(19)13-16(4,21)12(23-9(3)18)6-10-8(2)15(20)24-14(10)17(7,13)22/h5,10,12-14,21-22H,2,6H2,1,3-4H3/t10-,12+,13-,14-,16+,17+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C(=O)C=C(C)[C@]21O,C17H20O7,pos_1_1sodium,336.12090298,HGZUDBQQCCXOAZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia xerophytica,719389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia xerophytica'],6,0,6.0
10500,741,-1,,,,0.0,MS1_match,IETCHJLAYVYLKA-SJTFNBSGSA-N,"InChI=1S/C17H20O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-6,11,14-18,20-21H,7H2,1-2H3/t11-,14+,15+,16+,17-/m1/s1",COc1cc(C2=CC(=O)[C@@H]3[C@H](O)[C@H](OC)[C@H](O)C[C@@H]3O2)ccc1O,C17H20O7,pos_1_1sodium,336.12090298,IETCHJLAYVYLKA,,,,Bracteantha viscosa,428753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Xerochrysum'],['Xerochrysum viscosum'],6,0,6.0
10501,741,-1,,,,0.0,MS1_match,IETCHJLAYVYLKA-SJTFNBSGSA-N,"InChI=1S/C17H20O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-6,11,14-18,20-21H,7H2,1-2H3/t11-,14+,15+,16+,17-/m1/s1",COc1cc(C2=CC(=O)[C@@H]3[C@H](O)[C@H](OC)[C@H](O)C[C@@H]3O2)ccc1O,C17H20O7,pos_1_1sodium,336.12090298,IETCHJLAYVYLKA,,,,Xerochrysum viscosum,428753.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Gnaphalieae'],['Xerochrysum'],['Xerochrysum viscosum'],6,0,6.0
10502,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-GWMRQPHLSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13-,15+,16+,17-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea clavennae,768363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea clavennae'],6,0,6.0
10503,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-UBXJXJADSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13+,15+,16+,17-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C)C=C[C@@]3(OO4)[C@](C)(O)[C@H](OC(C)=O)C[C@@H]12,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Wedelia silphioides,7606275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia silphioides'],6,0,6.0
10504,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-UBXJXJADSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13+,15+,16+,17-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C)C=C[C@@]3(OO4)[C@](C)(O)[C@H](OC(C)=O)C[C@@H]12,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Aspilia silphioides,7606275.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Wedelia'],['Wedelia silphioides'],6,0,6.0
10505,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-UBXJXJADSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13+,15+,16+,17-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C)C=C[C@@]3(OO4)[C@](C)(O)[C@H](OC(C)=O)C[C@@H]12,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea nobilis,395150.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea nobilis'],6,0,6.0
10506,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-UBXJXJADSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13+,15+,16+,17-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]3[C@@]4(C)C=C[C@@]3(OO4)[C@](C)(O)[C@H](OC(C)=O)C[C@@H]12,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea odorata,7597000.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea odorata'],6,0,6.0
10507,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-GWMRQPHLSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13-,15+,16+,17-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Chrysanthemum indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],6,0,6.0
10508,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-GWMRQPHLSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11+,12-,13-,15+,16+,17-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dendranthema indicum,7184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Chrysanthemum'],['Chrysanthemum indicum'],6,0,6.0
10509,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-SSDWSKNDSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11-,12+,13+,15-,16-,17+/m1/s1",C=C1C(=O)O[C@H]2[C@@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea pseudopectinata,870490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea pseudopectinata'],6,0,6.0
10510,741,-1,,,,0.0,MS1_match,XOZFCTKEUWXPAF-SSDWSKNDSA-N,"InChI=1S/C17H20O7/c1-8-10-7-11(21-9(2)18)16(4,20)17-6-5-15(3,23-24-17)13(17)12(10)22-14(8)19/h5-6,10-13,20H,1,7H2,2-4H3/t10-,11-,12+,13+,15-,16-,17+/m1/s1",C=C1C(=O)O[C@H]2[C@@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13C=C[C@@](C)(OO1)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,XOZFCTKEUWXPAF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea depressa,870490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea pseudopectinata'],6,0,6.0
10511,741,-1,,,,0.0,MS1_match,WDDXTILZUUVECD-BJVHOVFPSA-N,"InChI=1S/C17H20O7/c1-6-8-5-9(21-7(2)18)16(4,20)17-11(10(8)22-14(6)19)15(3)12(23-15)13(17)24-17/h8-13,20H,1,5H2,2-4H3/t8-,9+,10-,11-,12-,13+,15+,16+,17-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(C)=O)[C@@](C)(O)[C@@]13O[C@@H]1[C@@H]1O[C@]1(C)[C@H]23,C17H20O7,pos_1_1sodium,336.12090298,WDDXTILZUUVECD,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Achillea clavennae,768363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Achillea'],['Achillea clavennae'],6,0,6.0
10512,741,-1,,,,0.0,MS1_match,KIMFLFYOUFXUAC-XLOUWHCTSA-N,"InChI=1S/C17H20O7/c1-7-10-4-11-8(2)16-23-13(15(20)24-16)17(11,6-21-9(3)18)5-12(10)22-14(7)19/h10-13,15-16,20H,1-2,4-6H2,3H3/t10-,11+,12-,13-,15-,16+,17+/m1/s1",C=C1C(=O)O[C@@H]2C[C@@]3(COC(C)=O)[C@@H]4O[C@@H](O[C@H]4O)C(=C)[C@@H]3C[C@H]12,C17H20O7,pos_1_1sodium,336.12090298,KIMFLFYOUFXUAC,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Mikania cordifolia,803876.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordifolia'],6,0,6.0
10513,741,-1,,,,0.0,MS1_match,ALQWQVLQHXAWBI-RZGXMFIVSA-N,"InChI=1S/C17H20O7/c1-7-14-11-4-9(16(20)22-11)10(21-8(2)18)5-13-17(3,24-13)6-12(14)23-15(7)19/h4,7,10-14H,5-6H2,1-3H3/t7-,10+,11-,12+,13+,14+,17+/m1/s1",CC(=O)O[C@H]1C[C@@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H]2C=C1C(=O)O2,C17H20O7,pos_1_1sodium,336.12090298,ALQWQVLQHXAWBI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania micrantha,266305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania micrantha'],6,0,6.0
10514,741,-1,,,,0.0,MS1_match,ALQWQVLQHXAWBI-WBNOIMIKSA-N,"InChI=1S/C17H20O7/c1-7-14-11-4-9(16(20)22-11)10(21-8(2)18)5-13-17(3,24-13)6-12(14)23-15(7)19/h4,7,10-14H,5-6H2,1-3H3/t7-,10-,11+,12-,13-,14-,17-/m0/s1",CC(=O)O[C@H]1C[C@@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H]2C=C1C(=O)O2,C17H20O7,pos_1_1sodium,336.12090298,ALQWQVLQHXAWBI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania cordata,44709.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania cordata'],6,0,6.0
10515,741,-1,,,,0.0,MS1_match,ALQWQVLQHXAWBI-RZGXMFIVSA-N,"InChI=1S/C17H20O7/c1-7-14-11-4-9(16(20)22-11)10(21-8(2)18)5-13-17(3,24-13)6-12(14)23-15(7)19/h4,7,10-14H,5-6H2,1-3H3/t7-,10+,11-,12+,13+,14+,17+/m1/s1",CC(=O)O[C@H]1C[C@@H]2O[C@@]2(C)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H]2C=C1C(=O)O2,C17H20O7,pos_1_1sodium,336.12090298,ALQWQVLQHXAWBI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Mikania micrantha,266305.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania micrantha'],6,0,6.0
10516,741,-1,,,,0.0,MS1_match,UMXUOKROQRJEPT-UHFFFAOYSA-N,"InChI=1S/C22H24O/c1-15(2)19-11-10-16(3)20-13-22(17(4)12-21(19)20)23-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3",Cc1cc2c(C(C)C)ccc(C)c2cc1OCc1ccccc1,C22H24O,pos_1_minus1proton1iron,304.182715388,UMXUOKROQRJEPT,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],6,0,6.0
10517,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,HZJCTVZGABWKAW-UVWXRNBGSA-N,"InChI=1S/C16H24O2/c1-10-4-5-11-6-7-13-12(14(17)18)8-9-16(10,13)15(11,2)3/h10-11H,4-9H2,1-3H3,(H,17,18)/t10-,11-,16+/m1/s1",C[C@@H]1CC[C@@H]2CCC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,pos_1_minus1proton1iron,248.177630008,HZJCTVZGABWKAW,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Cladogynos orientalis,3914748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Epiprineae'],['Cladogynos'],['Cladogynos orientalis'],6,0,6.0
10518,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,pos_1_minus1proton1iron,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Joannesia princeps,485781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Joannesia'],['Joannesia princeps'],6,0,6.0
10519,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,pos_1_minus1proton1iron,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton aromaticus,3913775.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton aromaticus'],6,0,6.0
10520,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,pos_1_minus1proton1iron,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Cladogynos orientalis,3914748.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Epiprineae'],['Cladogynos'],['Cladogynos orientalis'],6,0,6.0
10521,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,pos_1_minus1proton1iron,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Sandwithia guyanensis,786217.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Aleuritideae'],['Sandwithia'],['Sandwithia guyanensis'],6,0,6.0
10522,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,WWZTYXORWVAPSU-GTTSAUCSSA-N,"InChI=1S/C16H24O2/c1-10-5-7-15(4)9-12-11(13(17)18)6-8-16(10,12)14(15,2)3/h10H,5-9H2,1-4H3,(H,17,18)/t10-,15-,16+/m1/s1",C[C@@H]1CC[C@]2(C)CC3=C(C(=O)O)CC[C@@]31C2(C)C,C16H24O2,pos_1_minus1proton1iron,248.177630008,WWZTYXORWVAPSU,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Croton crassifolius,850988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton crassifolius'],6,0,6.0
10523,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,DGOUGOOBFKBPQX-UVWXRNBGSA-N,"InChI=1S/C16H24O2/c1-10-5-6-11-9-13-12(14(17)18-4)7-8-16(10,13)15(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11-,16+/m1/s1",COC(=O)C1=C2C[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C,C16H24O2,pos_1_minus1proton1iron,248.177630008,DGOUGOOBFKBPQX,Terpenoids,Sesquiterpenoids,Patchoulane sesquiterpenoids,Joannesia princeps,485781.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Joannesia'],['Joannesia princeps'],6,0,6.0
10524,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,HAKVMAYCRPPRSH-UHFFFAOYSA-N,"InChI=1S/C16H14O2S/c1-9-3-4-10-11-7-8-14(17)16(19-2)13(11)6-5-12(10)15(9)18/h3-8,17-18H,1-2H3",CSc1c(O)ccc2c1ccc1c(O)c(C)ccc12,C16H14O2S,pos_1_1proton1methanol,270.071450688,HAKVMAYCRPPRSH,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Micrandropsis scleroxylon,603561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Micrandropsis'],['Micrandropsis scleroxylon'],6,0,6.0
10525,740,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,JBKKFLUYCPHLQF-UHFFFAOYSA-N,"InChI=1S/C16H14O2S/c1-9-7-10-3-4-12-11(13(10)8-15(9)18)5-6-14(17)16(12)19-2/h3-8,17-18H,1-2H3",CSc1c(O)ccc2c1ccc1cc(C)c(O)cc12,C16H14O2S,pos_1_1proton1methanol,270.071450688,JBKKFLUYCPHLQF,Shikimates and Phenylpropanoids,Phenanthrenoids,Phenanthrenes,Micrandropsis scleroxylon,603561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Micrandreae'],['Micrandropsis'],['Micrandropsis scleroxylon'],6,0,6.0
10526,738,749,Terpenoids,Diterpenoids,Cholestane steroids,0.0,MS1_match,WZRPLPASBYMJLL-UHFFFAOYSA-N,"InChI=1S/C16H22O6S/c1-7-4-12(18)14-10(6-23(3,20)21)16(19)22-15(14)13-8(2)11(17)5-9(7)13/h8-10,12-15,18H,1,4-6H2,2-3H3",C=C1CC(O)C2C(CS(C)(=O)=O)C(=O)OC2C2C(C)C(=O)CC12,C16H22O6S,pos_1_1proton1ethylamine,342.113709424,WZRPLPASBYMJLL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,1,7.5
10527,738,749,Terpenoids,Diterpenoids,Cholestane steroids,0.0,MS1_match,WZRPLPASBYMJLL-UHFFFAOYSA-N,"InChI=1S/C16H22O6S/c1-7-4-12(18)14-10(6-23(3,20)21)16(19)22-15(14)13-8(2)11(17)5-9(7)13/h8-10,12-15,18H,1,4-6H2,2-3H3",C=C1CC(O)C2C(CS(C)(=O)=O)C(=O)OC2C2C(C)C(=O)CC12,C16H22O6S,pos_1_1proton1ethylamine,342.113709424,WZRPLPASBYMJLL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,1,7.5
10528,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Mangifera indica,807634.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Anacardiaceae'],['Unknown'],['Mangifera'],['Mangifera indica'],1,1,4.393699407577515
10529,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Prunus avium,162547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Amygdaleae'],['Prunus'],['Prunus avium'],1,1,4.393699407577515
10530,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Acca sellowiana,9529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Myrtales'],['Myrtaceae'],['Myrteae'],['Acca'],['Acca sellowiana'],1,1,4.393699407577515
10531,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],1,1,4.393699407577515
10532,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Camellia sinensis,1058509.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ericales'],['Theaceae'],['Unknown'],['Camellia'],['Camellia sinensis'],1,1,4.393699407577515
10533,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Cistus creticus,595858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Cistaceae'],['Unknown'],['Cistus'],['Cistus creticus'],1,1,4.393699407577515
10534,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],1,1,4.393699407577515
10535,737,630,Terpenoids,Monoterpenoids,Cinnamic acids and derivatives,0.72342485,ISDB,RTUMCNDCAVLXEP-UHFFFAOYSA-N,"InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3",Cc1ccc2c(c1)C=CCC2(C)C,C13H16,,172.125200512,RTUMCNDCAVLXEP,Terpenoids,,,Passiflora edulis,183517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Passifloraceae'],['Unknown'],['Passiflora'],['Passiflora edulis'],1,1,4.393699407577515
10536,736,124,Fatty acids,Fatty amides,Primary amides,0.40470818,ISDB,SYELZBGXAIXKHU-UHFFFAOYSA-N,"InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3",CCCCCCCCCCCC[N+](C)(C)[O-],C14H31NO,,229.240564612,SYELZBGXAIXKHU,Fatty acids,Fatty acyls,Hydrocarbons,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,1,3.1188327074050903
10537,732,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,1,6.5
10538,732,195,Shikimates and Phenylpropanoids,Naphthalenes,Ergostane steroids,0.0,MS1_match,PQQRNPDHSJDAGV-HQSXISOASA-N,"InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3/t14-,15-,19+,20+,23+,25-,26+,28+/m0/s1",COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C[C@@H](CO)[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O,C28H38O13,pos_1_1proton1ammonium,582.2312412759999,PQQRNPDHSJDAGV,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Lycium chinense,58730.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Lycieae'],['Lycium'],['Lycium chinense'],6,1,6.5
10539,726,-1,,,,0.3280933,ISDB,XCZMLTPOPVHWAU-FQEVSTJZSA-N,"InChI=1S/C23H41NO3/c1-5-14-22-18(2)19(3)23(27-22)16-13-11-9-7-6-8-10-12-15-21(26)20(17-25)24-4/h20,24-25H,5-17H2,1-4H3/t20-/m0/s1",CCCc1oc(CCCCCCCCCCC(=O)[C@H](CO)NC)c(C)c1C,C23H41NO3,,379.308644172,XCZMLTPOPVHWAU,Fatty acids,Sphingolipids,Sphingoid bases,Calicogorgia,217892.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Acanthogorgiidae'],['Unknown'],['Calicogorgia'],['Unknown'],2,0,3.312373161315918
10540,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pinnatifidum,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,3,7.5
10541,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos heterocarpa,538846.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos heterocarpa'],6,3,7.5
10542,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria macrosepala,5503547.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria macrosepala'],6,3,7.5
10543,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Rupicapnos africana,538836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Rupicapnos'],['Rupicapnos africana'],6,3,7.5
10544,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos claviculata,187661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos claviculata'],6,3,7.5
10545,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulleyana,5727972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bulleyana'],6,3,7.5
10546,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cava,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
10547,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis heterocarpa var. japonica,5922953.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis heterocarpa'],6,3,7.5
10548,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis orthopoda,6130503.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis orthopoda'],6,3,7.5
10549,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis thyrsiflora,6130614.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis thyrsiflora'],6,3,7.5
10550,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis meifolia,5727943.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis meifolia'],6,3,7.5
10551,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],6,3,7.5
10552,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver oreophilum,6130838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver oreophilum'],6,3,7.5
10553,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver orientale,171970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver orientale'],6,3,7.5
10554,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pseudo-orientale,237513.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pseudo-orientale'],6,3,7.5
10555,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Capnoides sempervirens,438095.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Capnoides'],['Capnoides sempervirens'],6,3,7.5
10556,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum erectum,5728017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum erectum'],6,3,7.5
10557,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,3,7.5
10558,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dactylicapnos torulosa,667819.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dactylicapnos'],['Dactylicapnos torulosa'],6,3,7.5
10559,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria bracteosa,5503558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria bracteosa'],6,3,7.5
10560,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dicentra formosa,157214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicentra'],['Dicentra formosa'],6,3,7.5
10561,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hunnemannia fumariifolia,96180.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hunnemannia'],['Hunnemannia fumariifolia'],6,3,7.5
10562,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
10563,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis,438103.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Unknown'],6,3,7.5
10564,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver curviscapum,6130801.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver curviscapum'],6,3,7.5
10565,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria sepium,5503543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria sepium'],6,3,7.5
10566,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver argemone,605766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver argemone'],6,3,7.5
10567,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylomecon heterophylla,878925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver heterophyllum'],6,3,7.5
10568,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver heterophyllum,878925.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver heterophyllum'],6,3,7.5
10569,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria,76886.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Unknown'],6,3,7.5
10570,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria schleicheri,5728019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria schleicheri'],6,3,7.5
10571,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria bastardii,415543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria bastardii'],6,3,7.5
10572,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis caucasica,5727948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis caucasica'],6,3,7.5
10573,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bulbosa,5715966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cava'],6,3,7.5
10574,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis rutifolia,6130568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis rutifolia'],6,3,7.5
10575,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis uniflora,660431.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis uniflora'],6,3,7.5
10576,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver rhoeas,867221.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver rhoeas'],6,3,7.5
10577,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver guerlekense,6130813.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver guerlekense'],6,3,7.5
10578,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dubium,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,3,7.5
10579,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver laestadianum,6130823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver laestadianum'],6,3,7.5
10580,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lapponicum,38473.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lapponicum'],6,3,7.5
10581,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dahlianum,232568.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
10582,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver radicatum,84034.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver radicatum'],6,3,7.5
10583,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,3,7.5
10584,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria rostellata,5503542.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria rostellata'],6,3,7.5
10585,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver tatricum,740024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver tatricum'],6,3,7.5
10586,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver kerneri,7591121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver kerneri'],6,3,7.5
10587,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver lateritium,398982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver lateritium'],6,3,7.5
10588,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Meconopsis robusta,5503565.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Meconopsis'],['Meconopsis robusta'],6,3,7.5
10589,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum imberbe,188913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum imberbe'],6,3,7.5
10590,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Platycapnos saxicola,1065330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos saxicola'],6,3,7.5
10591,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria indica,5503534.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria indica'],6,3,7.5
10592,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis speciosa,5727987.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis speciosa'],6,3,7.5
10593,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria gaillardotii,5503539.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria gaillardotii'],6,3,7.5
10594,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UZTFBGXIIOSHFC-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-22-16-8-12-6-7-21-19(14(12)10-17(16)23-2)20(24-3)13-4-5-15-18(9-13)26-11-25-15/h4-10,20H,11H2,1-3H3",COc1cc2ccnc(C(OC)c3ccc4c(c3)OCO4)c2cc1OC,C20H19NO5,pos_1_1proton,353.126322708,UZTFBGXIIOSHFC,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
10595,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,UBPAYYJTLBZPSD-OJISFJIHSA-N,"InChI=1S/C20H19NO5/c1-21-7-11-4-16-17(25-9-24-16)5-12(11)19-14(22)2-10-3-15-18(26-8-23-15)6-13(10)20(19)21/h3-6,14,19-20,22H,2,7-9H2,1H3/t14?,19?,20-/m1/s1",CN1Cc2cc3c(cc2C2C(O)Cc4cc5c(cc4[C@H]21)OCO5)OCO3,C20H19NO5,pos_1_1proton,353.126322708,UBPAYYJTLBZPSD,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
10596,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,JGUHXZNEJZIAFG-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-12-6-17-18(24-10-23-17)7-15(12)20(21)8-13-2-3-16-19(25-11-22-16)14(13)9-26-20/h2-3,6-7H,4-5,8-11H2,1H3",CN1CCc2cc3c(cc2C12Cc1ccc4c(c1CO2)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,JGUHXZNEJZIAFG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum erectum,5728017.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum erectum'],6,3,7.5
10597,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,JGUHXZNEJZIAFG-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-12-6-17-18(24-10-23-17)7-15(12)20(21)8-13-2-3-16-19(25-11-22-16)14(13)9-26-20/h2-3,6-7H,4-5,8-11H2,1H3",CN1CCc2cc3c(cc2C12Cc1ccc4c(c1CO2)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,JGUHXZNEJZIAFG,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum lactiflorum,6130705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum lactiflorum'],6,3,7.5
10598,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,pos_1_1proton,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
10599,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver albiflorum,5727872.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver albiflorum'],6,3,7.5
10600,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cornuta,6130333.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cornuta'],6,3,7.5
10601,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis balansae,6130292.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis balansae'],6,3,7.5
10602,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver persicum,5727884.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver persicum'],6,3,7.5
10603,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Platystemon californicus,565712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platystemon'],['Platystemon californicus'],6,3,7.5
10604,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ambigua,326188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ambigua'],6,3,7.5
10605,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone munita,215282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone munita'],6,3,7.5
10606,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone grandiflora,739052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone grandiflora'],6,3,7.5
10607,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis calliantha,6130313.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis calliantha'],6,3,7.5
10608,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium elegans,5727869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium elegans'],6,3,7.5
10609,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum pendulum,928576.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum pendulum'],6,3,7.5
10610,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis campulicarpa,6130315.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis campulicarpa'],6,3,7.5
10611,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,ZRBGFWOXAQPDTH-FQEVSTJZSA-N,"InChI=1S/C20H19NO5/c1-23-15-4-3-12-7-14-13-9-17-16(25-10-26-17)8-11(13)5-6-21(14)20(22)18(12)19(15)24-2/h3-4,7-9,20,22H,5-6,10H2,1-2H3/t20-/m0/s1",COc1ccc2c(c1OC)[C@H](O)N1CCc3cc4c(cc3C1=C2)OCO4,C20H19NO5,pos_1_1proton,353.1263227079999,ZRBGFWOXAQPDTH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
10612,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pseudocanescens,5727871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver canescens'],6,3,7.5
10613,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria vaillantii,667812.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria vaillantii'],6,3,7.5
10614,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone alba,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,3,7.5
10615,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
10616,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
10617,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dicranostigma lactucoides,510012.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicranostigma'],['Dicranostigma lactucoides'],6,3,7.5
10618,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria capreolata,362406.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria capreolata'],6,3,7.5
10619,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria asepala,5503538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria asepala'],6,3,7.5
10620,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria judaica,5503537.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria judaica'],6,3,7.5
10621,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,3,7.5
10622,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
10623,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
10624,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
10625,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium corniculatum,3944918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium corniculatum'],6,3,7.5
10626,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,3,7.5
10627,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver setigerum,237515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
10628,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,3,7.5
10629,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
10630,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,3,7.5
10631,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ledebouriana,5232171.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ledebouriana'],6,3,7.5
10632,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,3,7.5
10633,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum lasiocarpum,1086764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum lasiocarpum'],6,3,7.5
10634,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis vaginans,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,3,7.5
10635,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum leptocarpum,304278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum leptocarpum'],6,3,7.5
10636,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hypecoum procumbens,620741.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hypecoum'],['Hypecoum procumbens'],6,3,7.5
10637,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,3,7.5
10638,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver glaucum,84040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver glaucum'],6,3,7.5
10639,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone mexicana,408476.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone mexicana'],6,3,7.5
10640,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone aenea,3944915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone aenea'],6,3,7.5
10641,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,HYWZGQMUNYHGNN-INIZCTEOSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-22)26-11-23-17/h2-3,7-9,16H,4-6,10-11H2,1H3/t16-/m0/s1",CN1CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1C=O)OCO2)OCO3,C20H19NO5,pos_1_1proton,353.126322708,HYWZGQMUNYHGNN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ochotensis,818452.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ochotensis'],6,3,7.5
10642,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,HYWZGQMUNYHGNN-INIZCTEOSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(21)6-12-2-3-17-20(15(12)9-22)26-11-23-17/h2-3,7-9,16H,4-6,10-11H2,1H3/t16-/m0/s1",CN1CCc2cc3c(cc2[C@@H]1Cc1ccc2c(c1C=O)OCO2)OCO3,C20H19NO5,pos_1_1proton,353.126322708,HYWZGQMUNYHGNN,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis raddeana,7048977.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis raddeana'],6,3,7.5
10643,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,AKCAVBOVRWGORC-WOJBJXKFSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-11-6-15-16(25-9-24-15)7-13(11)20(21)8-12-2-3-14-18(26-10-23-14)17(12)19(20)22/h2-3,6-7,19,22H,4-5,8-10H2,1H3/t19-,20-/m1/s1",CN1CCc2cc3c(cc2[C@@]12Cc1ccc4c(c1[C@H]2O)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,AKCAVBOVRWGORC,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
10644,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OEGWOBMNQDATKP-UHFFFAOYSA-O,"InChI=1S/C19H15NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,6-9H,4-5,10H2,1H3/p+1",COc1c(O)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2,C19H16NO4+,pos_1_1proton1methanol,322.10738441209,OEGWOBMNQDATKP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium arabicum,6130739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium arabicum'],6,3,7.5
10645,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OEGWOBMNQDATKP-UHFFFAOYSA-N,"InChI=1S/C19H15NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,6-9H,4-5,10H2,1H3",COc1c([O-])ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2,C19H15NO4,pos_1_1proton1methanol,321.10010796,OEGWOBMNQDATKP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
10646,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OEGWOBMNQDATKP-UHFFFAOYSA-O,"InChI=1S/C19H15NO4/c1-22-19-14-9-20-5-4-12-7-17-18(24-10-23-17)8-13(12)15(20)6-11(14)2-3-16(19)21/h2-3,6-9H,4-5,10H2,1H3/p+1",COc1c(O)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2,C19H16NO4+,pos_1_1proton1methanol,322.10738441209,OEGWOBMNQDATKP,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver dubium,605785.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver dubium'],6,3,7.5
10647,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium flavum,96178.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium flavum'],6,3,7.5
10648,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
10649,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,3,7.5
10650,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,3,7.5
10651,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum lasiocarpum,1086764.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum lasiocarpum'],6,3,7.5
10652,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZMYBRWDISA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m1/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H](O)Cc3cc4c(cc3[C@@H]21)OCO4,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium squamigerum,5232170.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium squamigerum'],6,3,7.5
10653,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,3,7.5
10654,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos saetabensis,262598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos saetabensis'],6,3,7.5
10655,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3",CN1Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,7.5
10656,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos crassifolia,243057.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos crassifolia'],6,3,7.5
10657,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-ZOCIIQOWSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1",CN1Cc2c(ccc3c2OCO3)[C@@H]2[C@H]1c1cc3c(cc1C[C@@H]2O)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Ceratocapnos turbinata,6130260.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Ceratocapnos'],['Ceratocapnos turbinata'],6,3,7.5
10658,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3",CN1Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver bracteatum,237538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver bracteatum'],6,3,7.5
10659,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3",CN1Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver nudicaule,784404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver nudicaule'],6,3,7.5
10660,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GHKISGDRQRSCII-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3",CN1Cc2c(ccc3c2OCO3)C2C(O)Cc3cc4c(cc3C21)OCO4,C20H19NO5,pos_1_1proton,353.126322708,GHKISGDRQRSCII,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium corniculatum,3944918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium corniculatum'],6,3,7.5
10661,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis govaniana,5727971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis govaniana'],6,3,7.5
10662,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver canescens,5727871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver canescens'],6,3,7.5
10663,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver atlanticum,605770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver atlanticum'],6,3,7.5
10664,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium grandiflorum,5727864.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium grandiflorum'],6,3,7.5
10665,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria kralikii,793789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria kralikii'],6,3,7.5
10666,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
10667,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria petteri,5503540.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria petteri'],6,3,7.5
10668,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Eschscholzia californica,438086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Eschscholzia'],['Eschscholzia californica'],6,3,7.5
10669,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ramosa,5727950.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis vaginans'],6,3,7.5
10670,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis cheilanthifolia,900506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis cheilanthifolia'],6,3,7.5
10671,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia frutescens,1030285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia frutescens'],6,3,7.5
10672,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia latisepala,7048982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia latisepala'],6,3,7.5
10673,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hylomecon japonica,1030293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hylomecon'],['Hylomecon japonica'],6,3,7.5
10674,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hylomecon japonicum,1086765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hylomecon'],['Hylomecon vernalis'],6,3,7.5
10675,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,3,7.5
10676,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone albiflora,164468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone albiflora'],6,3,7.5
10677,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver pavoninum,84038.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver pavoninum'],6,3,7.5
10678,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,3,7.5
10679,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos saetabensis,262598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos saetabensis'],6,3,7.5
10680,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,7.5
10681,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria agraria,538838.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria agraria'],6,3,7.5
10682,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria densiflora,793787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria densiflora'],6,3,7.5
10683,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Platycapnos spicata,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,3,7.5
10684,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Platycapnos spicatus,76911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Platycapnos'],['Platycapnos spicata'],6,3,7.5
10685,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria muralis,887068.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria muralis'],6,3,7.5
10686,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria officinalis,76888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria officinalis'],6,3,7.5
10687,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis solida,660432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis solida'],6,3,7.5
10688,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ophiocarpa,23592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ophiocarpa'],6,3,7.5
10689,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Arctomecon humilis,164466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Arctomecon'],['Arctomecon humilis'],6,3,7.5
10690,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis remota,5727913.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis remota'],6,3,7.5
10691,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sheareri,6130581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sheareri'],6,3,7.5
10692,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone polyanthemos,5727896.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone polyanthemos'],6,3,7.5
10693,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone platyceras,215290.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone platyceras'],6,3,7.5
10694,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Dicentra peregrina,928561.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Dicentra'],['Dicentra peregrina'],6,3,7.5
10695,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lamprocapnos spectabilis,928569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Lamprocapnos'],['Lamprocapnos spectabilis'],6,3,7.5
10696,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone subfusiformis,789713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone subfusiformis'],6,3,7.5
10697,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis racemosa,978852.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis racemosa'],6,3,7.5
10698,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis nobilis,138215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis nobilis'],6,3,7.5
10699,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis sewerzowii,6130579.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis sewerzowii'],6,3,7.5
10700,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gortschakovii,5728011.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gortschakovii'],6,3,7.5
10701,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis bungeana,5263529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis bungeana'],6,3,7.5
10702,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pseudoadunca,6130530.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pseudoadunca'],6,3,7.5
10703,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis pallida,818458.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis pallida'],6,3,7.5
10704,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis yanhusuo,300823.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis yanhusuo'],6,3,7.5
10705,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis intermedia,402712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis intermedia'],6,3,7.5
10706,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis ternata,7591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis ternata'],6,3,7.5
10707,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis decumbens,818457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis decumbens'],6,3,7.5
10708,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,3,7.5
10709,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis repens,5728014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis repens'],6,3,7.5
10710,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis glaucescens,5727955.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis glaucescens'],6,3,7.5
10711,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis gigantea,5727959.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis gigantea'],6,3,7.5
10712,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis esquirolii,6130364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis esquirolii'],6,3,7.5
10713,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis longicalcarata,5727944.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis longicalcarata'],6,3,7.5
10714,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis adunca,5727919.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis adunca'],6,3,7.5
10715,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,GPTFURBXHJWNHR-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3",CN1CCc2cc3c(cc2C(=O)Cc2ccc4c(c2C1)OCO4)OCO3,C20H19NO5,pos_1_1proton,353.126322708,GPTFURBXHJWNHR,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis integra,6130415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis integra'],6,3,7.5
10716,724,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,QJTBIAMBPGGIGI-UHFFFAOYSA-N,"InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3",COc1ccc(C(=O)c2nccc3cc(OC)c(OC)cc23)cc1OC,C20H19NO5,pos_1_1proton,353.126322708,QJTBIAMBPGGIGI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Papaver somniferum,438118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Papaver'],['Papaver somniferum'],6,3,7.5
10717,715,-1,,,,0.6610778,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Salvia aegyptiaca,626525.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Salvia'],['Salvia aegyptiaca'],5,0,7.644311189651489
10718,715,-1,,,,0.6610778,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lavandula angustifolia,880708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula angustifolia'],5,0,7.644311189651489
10719,715,-1,,,,0.6610778,ISDB,LIIALPBMIOVAHH-UHFFFAOYSA-N,"InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3",COc1ccc2ccc(=O)oc2c1,C10H8O3,,176.047344116,LIIALPBMIOVAHH,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Lavandula latifolia,355951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Lavanduleae'],['Lavandula'],['Lavandula latifolia'],5,0,7.644311189651489
10720,713,-1,,,,0.74431026,ISDB,MZQXAWAWDWCIKG-SPSBLGDNSA-N,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1",CCC[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,MZQXAWAWDWCIKG,Fatty acids,Octadecanoids,Other Octadecanoids,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],5,0,7.977241039276123
10721,713,-1,,,,0.74431026,ISDB,MZQXAWAWDWCIKG-SPSBLGDNSA-N,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1",CCC[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,MZQXAWAWDWCIKG,Fatty acids,Octadecanoids,Other Octadecanoids,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],5,0,7.977241039276123
10722,713,-1,,,,0.74431026,ISDB,MZQXAWAWDWCIKG-SPSBLGDNSA-N,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1",CCC[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,MZQXAWAWDWCIKG,Fatty acids,Octadecanoids,Other Octadecanoids,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],5,0,7.977241039276123
10723,713,-1,,,,0.74431026,ISDB,MZQXAWAWDWCIKG-SPSBLGDNSA-N,"InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1",CCC[C@@H](O)C/C=C\C/C=C\CCCCCCCC(=O)O,C18H32O3,,296.235144884,MZQXAWAWDWCIKG,Fatty acids,Octadecanoids,Other Octadecanoids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],5,0,7.977241039276123
10724,712,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KYSQDMNDMYECNZ-GGKWECFFSA-N,"InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+/t8-,13+/m0/s1",O=C(O)C[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C15H14O10,pos_1_1proton1isopropanol,354.058696648,KYSQDMNDMYECNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dactylis glomerata,83469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Dactylis'],['Dactylis glomerata'],6,3,7.5
10725,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,0,9.990333795547485
10726,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia granulata,866583.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia granulata'],8,0,9.990333795547485
10727,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,9.990333795547485
10728,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia,109494.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Unknown'],8,0,9.990333795547485
10729,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia supina,253556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia supina'],8,0,9.990333795547485
10730,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,0,9.990333795547485
10731,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,9.990333795547485
10732,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia lunulata,591090.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lunulata'],8,0,9.990333795547485
10733,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,9.990333795547485
10734,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia glareosa,26283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia glareosa'],8,0,9.990333795547485
10735,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,0,9.990333795547485
10736,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia soongarica,3912750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia soongarica'],8,0,9.990333795547485
10737,711,-1,,,,0.49758345,ISDB,LNTHITQWFMADLM-UHFFFAOYSA-N,"InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)",O=C(O)c1cc(O)c(O)c(O)c1,C7H6O5,,170.021523292,LNTHITQWFMADLM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia hyssopifolia,145970.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyssopifolia'],8,0,9.990333795547485
10738,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,BFKWILVOTONIQI-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)26(24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,BFKWILVOTONIQI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10739,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,QWCWFWSASCMKEX-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(18(2)16-29(23,32)25(17)31)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,32H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,QWCWFWSASCMKEX,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10740,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,ZBELSIALTHIOTO-HUFSBHEJSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(32)29(33)16-19(3)25(31)24(29)26(17)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31,33H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24+,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)/C=C/c1ccccc1)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,ZBELSIALTHIOTO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10741,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,SXGKGXOUXRBQMQ-KIBXAYQRSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-10,12,14-15,19,21-22,24-26,31-32H,1,11,13,16H2,2-5H3/b14-12+,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.2562742519999,SXGKGXOUXRBQMQ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10742,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-XMILKHFNSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15+/t18-,20-,21+,23+,24-,26+,28+,29+/m0/s1",C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](C)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
10743,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,3,9.5
10744,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,OMBNGHNNZSKBRK-UHFFFAOYSA-N,"InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3",CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,OMBNGHNNZSKBRK,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia wallichii,3912272.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia wallichii'],8,3,9.5
10745,710,1006,Terpenoids,Sesquiterpenoids,Lathyrane diterpenoids,0.0,MS1_match,LZNNPFFCMZVLLZ-NXMQWNJLSA-N,"InChI=1S/C29H36O5/c1-17-11-13-21-22(28(21,4)5)15-18(2)27(33)29(16-19(3)26(32)24(29)25(17)31)34-23(30)14-12-20-9-7-6-8-10-20/h6-12,14-15,19,21-22,24-26,31-32H,13,16H2,1-5H3/b14-12+,17-11-,18-15+/t19-,21-,22+,24-,25-,26-,29+/m0/s1",C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@H](O)[C@@H]3[C@H]1O)C2(C)C,C29H36O5,pos_1_1proton,464.256274252,LZNNPFFCMZVLLZ,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia kansuensis,3912731.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansuensis'],8,3,9.5
10746,709,-1,,,,0.7905681,ISDB,VTLOQFRBRRZEIC-UHFFFAOYSA-N,"InChI=1S/C15H15NO3/c17-12-7-5-11(6-8-12)9-10-16-15(19)13-3-1-2-4-14(13)18/h1-8,17-18H,9-10H2,(H,16,19)",O=C(NCCc1ccc(O)cc1)c1ccccc1O,C15H15NO3,,257.10519334,VTLOQFRBRRZEIC,,,,Aniba riparia,6025354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Aniba'],['Aniba riparia'],1,0,4.1622724533081055
10747,708,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Bombyx mori,440274.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Bombycidae'],['Unknown'],['Bombyx'],['Bombyx mori'],4,0,7.166456937789917
10748,708,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Galleria mellonella,952256.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Lepidoptera'],['Pyralidae'],['Unknown'],['Galleria'],['Galleria mellonella'],4,0,7.166456937789917
10749,708,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],4,0,7.166456937789917
10750,708,74,Amino acids and Peptides,Small peptides,Aminoacids,0.79161423,ISDB,ATHGHQPFGPMSJY-UHFFFAOYSA-N,"InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2",NCCCCNCCCN,C7H19N3,,145.15789760799998,ATHGHQPFGPMSJY,Alkaloids,Ornithine alkaloids,Polyamines,Drosophila melanogaster,505714.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Diptera'],['Drosophilidae'],['Drosophilini'],['Drosophila'],['Drosophila melanogaster'],4,0,7.166456937789917
10751,706,-1,,,,0.0,MS1_match,BRVXVMOWTHQKHC-HIAHFQITSA-N,"InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+",CC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C,C33H44O9,pos_1_1proton1ethylamine,584.2985329879998,BRVXVMOWTHQKHC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
10752,705,-1,,,,0.23500761,ISDB,JNIVOKDEGVTPPC-ZQNQSHIBSA-N,"InChI=1S/C15H24O2/c1-8(2)13-7-14(17)9(3)11-5-6-12(10(4)16)15(11)13/h8,11-15,17H,3,5-7H2,1-2,4H3/t11-,12+,13-,14+,15-/m0/s1",C=C1[C@H](O)C[C@@H](C(C)C)[C@@H]2[C@@H](C(C)=O)CC[C@@H]12,C15H24O2,,236.177630008,JNIVOKDEGVTPPC,Terpenoids,Sesquiterpenoids,Oplopane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.940030455589294
10753,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,3,7.862328290939331
10754,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Intsia bijuga,228631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Afzelieae'],['Intsia'],['Intsia bijuga'],3,3,7.862328290939331
10755,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Intsia palembanica,760079.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Afzelieae'],['Intsia'],['Intsia palembanica'],3,3,7.862328290939331
10756,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Sophora yunnanensis,3919862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Sophoreae'],['Sophora'],['Sophora yunnanensis'],3,3,7.862328290939331
10757,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Robinia pseudoacacia,928416.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Robinia'],['Robinia pseudoacacia'],3,3,7.862328290939331
10758,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Burkea africana,72921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Burkea'],['Burkea africana'],3,3,7.862328290939331
10759,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Gliricidia sepium,869024.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Robinieae'],['Gliricidia'],['Gliricidia sepium'],3,3,7.862328290939331
10760,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia mearnsii,343265.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia mearnsii'],3,3,7.862328290939331
10761,704,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8405821,ISDB,SOEDEYVDCDYMMH-UHFFFAOYSA-N,"InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H",O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)ccc12,C15H10O7,,302.04265266,SOEDEYVDCDYMMH,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Acacia dealbata,274405.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Acacieae'],['Acacia'],['Acacia dealbata'],3,3,7.862328290939331
10762,703,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.48283523,ISDB,QQSYQDSEMQWNAW-BHWOMJMDSA-N,"InChI=1S/C21H35NO4/c1-6-7-8-9-10-11-12-16-13-14-17(24-3)19-18(16)20(23)21(25-4)15(2)22(19)26-5/h16-17H,6-14H2,1-5H3/t16-,17?/m0/s1",CCCCCCCC[C@H]1CCC(OC)c2c1c(=O)c(OC)c(C)n2OC,C21H35NO4,,365.2566086,QQSYQDSEMQWNAW,Alkaloids,,,Waltheria indica,1039214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Waltheria'],['Waltheria indica'],1,0,2.9313409328460693
10763,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
10764,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,3,8.5
10765,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,3,8.5
10766,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QKZAGVAREZGRQW-MAEJKLRXSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-11(6-16)15(18)19-14(9)13-8(2)12(17)5-10(7)13/h8,10,12-14,16-17H,1,3-6H2,2H3/t8-,10+,12-,13+,14+/m0/s1",C=C1CCC2=C(CO)C(=O)O[C@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,QKZAGVAREZGRQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,3,8.5
10767,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
10768,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
10769,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
10770,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-WWRXHXRLSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(=C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
10771,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
10772,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,3,8.5
10773,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
10774,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,3,8.5
10775,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,3,8.5
10776,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,8.5
10777,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
10778,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
10779,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,3,8.5
10780,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,3,8.5
10781,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
10782,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FHYQPZNZWJKLKK-FUCUMGKVSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
10783,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,3,8.5
10784,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-LUQFHCQZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8+,9+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
10785,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
10786,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,3,8.5
10787,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FHYQPZNZWJKLKK-HGVZAONGSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10-,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
10788,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-CDUHWDNDSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8-,9-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
10789,702,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
10790,701,-1,,,,0.6007675,ISDB,OSULXBNEGGTCCA-XXGPQQRCSA-N,"InChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3/t13-,15-,16-,17+,19+,20+/m1/s1",CC1=C2C=C3CC[C@@H]4[C@@]5(C)C[C@H]5CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O,C20H26O2,,298.193280072,OSULXBNEGGTCCA,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Suregada glomerulata,1082259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada glomerulata'],6,0,8.403069972991943
10791,699,953,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,0.0,MS1_match,AYXPYQRXGNDJFU-AOWZIMASSA-N,"InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m1/s1",C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C,C15H26O,pos_1_1proton1acetonitrile,222.198365452,AYXPYQRXGNDJFU,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10792,697,680,Terpenoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,TZPBMNKOLMSJPF-BZNQNGANSA-N,"InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1",O=C(O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C13H16O8,pos_1_1proton1ethylamine,300.084517472,TZPBMNKOLMSJPF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],7,3,8.5
10793,696,239,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.0,MS1_match,WKQNRCYKYCKESD-UHFFFAOYSA-N,"InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3",CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C,C26H48NO7P,pos_1_1sodium,517.316839506,WKQNRCYKYCKESD,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Nicotiana tabacum,222787.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Nicotianeae'],['Nicotiana'],['Nicotiana tabacum'],6,3,7.5
10794,693,-1,,,,0.0,MS1_match,CXOXYGZFBDGZJN-DYESRHJHSA-N,"InChI=1S/C21H28O3/c1-7-15-14(4)19(22)12-18-16(15)8-9-17(13(2)3)21(18,5)11-10-20(23)24-6/h7,12,17,22H,1-2,8-11H2,3-6H3/t17-,21-/m1/s1",C=Cc1c(C)c(O)cc2c1CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC,C21H28O3,pos_2MMg,328.203844756,CXOXYGZFBDGZJN,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Trigonostemon flavidus,3914668.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon flavidus'],6,0,6.0
10795,693,-1,,,,0.0,MS1_match,CXOXYGZFBDGZJN-DYESRHJHSA-N,"InChI=1S/C21H28O3/c1-7-15-14(4)19(22)12-18-16(15)8-9-17(13(2)3)21(18,5)11-10-20(23)24-6/h7,12,17,22H,1-2,8-11H2,3-6H3/t17-,21-/m1/s1",C=Cc1c(C)c(O)cc2c1CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC,C21H28O3,pos_2MMg,328.203844756,CXOXYGZFBDGZJN,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Trigonostemon chinensis,3914635.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon wui'],6,0,6.0
10796,693,-1,,,,0.0,MS1_match,CXOXYGZFBDGZJN-DYESRHJHSA-N,"InChI=1S/C21H28O3/c1-7-15-14(4)19(22)12-18-16(15)8-9-17(13(2)3)21(18,5)11-10-20(23)24-6/h7,12,17,22H,1-2,8-11H2,3-6H3/t17-,21-/m1/s1",C=Cc1c(C)c(O)cc2c1CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)OC,C21H28O3,pos_2MMg,328.203844756,CXOXYGZFBDGZJN,Terpenoids,Diterpenoids,Cleistanthane diterpenoids,Croton sonderianus,3913650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton sonderianus'],6,0,6.0
10797,693,-1,,,,0.0,MS1_match,NQLWXHKCOGCSFI-UHFFFAOYSA-N,"InChI=1S/C21H28O3/c1-14(2)17-8-7-16(4)20(23-5)11-6-15(3)12-19-13-18(10-9-17)21(22)24-19/h6-8,13,19-20H,1,9-12H2,2-5H3",C=C(C)C1=CC=C(C)C(OC)CC=C(C)CC2C=C(CC1)C(=O)O2,C21H28O3,pos_2MMg,328.203844756,NQLWXHKCOGCSFI,Terpenoids,Diterpenoids,Cembrane diterpenoids,Croton gratissimus,528092.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton gratissimus'],6,0,6.0
10798,692,-1,,,,0.48881242,ISDB,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,8.955249667167664
10799,687,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
10800,682,323,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UIARJAYMUVTPIU-VPTAEHAASA-N,"InChI=1S/C51H80O23/c1-18-13-28(69-45(18)74-48-41(64)38(61)35(58)29(16-52)70-48)32(55)19(2)31-27(54)15-26-24-8-7-22-14-23(9-11-50(22,5)25(24)10-12-51(26,31)6)68-49-44(73-47-40(63)37(60)34(57)21(4)67-47)42(65)43(30(17-53)71-49)72-46-39(62)36(59)33(56)20(3)66-46/h7,18-21,23-26,28-31,33-49,52-53,56-65H,8-17H2,1-6H3/t18-,19+,20+,21+,23+,24-,25+,26+,28-,29-,30-,31+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45+,46+,47+,48+,49-,50+,51+/m1/s1",C[C@@H]1C[C@H](C(=O)[C@@H](C)[C@H]2C(=O)C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C51H80O23,pos_3_1proton2sodium,1060.50903882,UIARJAYMUVTPIU,Terpenoids,Steroids,,Solanum anguivi,535397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum anguivi'],8,0,8.0
10801,678,-1,,,,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1potassium,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,0,6.0
10802,678,-1,,,,0.0,MS1_match,LDPLFHGGZNSKDS-FTBFGRRBSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)18)12(20)24-9-4-14(23,13(21)22)3-8(17)11(9)19/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11-,14+/m1/s1",O=C(O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1potassium,344.074346712,LDPLFHGGZNSKDS,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,0,6.0
10803,678,-1,,,,0.0,MS1_match,OGYBSNRRBNHPNK-LPSXRXAPSA-N,"InChI=1S/C14H16O10/c15-6-1-5(2-7(16)10(6)19)12(20)24-11-8(17)3-14(23,13(21)22)4-9(11)18/h1-2,8-9,11,15-19,23H,3-4H2,(H,21,22)/t8-,9-,11?,14?/m1/s1",O=C(OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O)c1cc(O)c(O)c(O)c1,C14H16O10,pos_1_1potassium,344.0743467119999,OGYBSNRRBNHPNK,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Macaranga tanarius,573156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga tanarius'],6,0,6.0
10804,677,892,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,pos_1_1proton2acetonitrile,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha ciliata,3914323.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha ciliata'],6,3,7.5
10805,677,892,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,HAVWRBANWNTOJX-UHFFFAOYSA-N,"InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3",COc1cc2ccc(=O)oc2c(O)c1O,C10H8O5,pos_1_1proton2acetonitrile,208.037173356,HAVWRBANWNTOJX,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jatropha glandulifera,610113.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha glandulifera'],6,3,7.5
10806,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-UHFFFAOYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3",C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
10807,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
10808,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-YIYJKGBESA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
10809,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
10810,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
10811,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
10812,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
10813,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ARUCPLGTSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
10814,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-YIYJKGBESA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
10815,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,0,7.0
10816,675,-1,,,,0.0,MS1_match,FJROEPPXQDZORC-BMYZHNRGSA-N,"InChI=1S/C21H30O9/c1-9-11-6-12-10(2)18(26)30-21(12,27)8-20(11,3)5-4-13(9)28-19-17(25)16(24)15(23)14(7-22)29-19/h11,13-17,19,22-25,27H,1,4-8H2,2-3H3/t11-,13-,14+,15+,16-,17+,19+,20+,21-/m0/s1",C=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FJROEPPXQDZORC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,0,7.0
10817,675,-1,,,,0.0,MS1_match,FJROEPPXQDZORC-BMYZHNRGSA-N,"InChI=1S/C21H30O9/c1-9-11-6-12-10(2)18(26)30-21(12,27)8-20(11,3)5-4-13(9)28-19-17(25)16(24)15(23)14(7-22)29-19/h11,13-17,19,22-25,27H,1,4-8H2,2-3H3/t11-,13-,14+,15+,16-,17+,19+,20+,21-/m0/s1",C=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FJROEPPXQDZORC,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes japonica,7052196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes japonica'],7,0,7.0
10818,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-UHFFFAOYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3",C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
10819,675,-1,,,,0.0,MS1_match,TWXCADQDVNDWNH-KMIUFNCMSA-N,"InChI=1S/C21H30O9/c1-10(8-22)17-18(26)16(12(3)19(27)29-6)15(7-21(17,5)13(4)24)30-20(28)11(2)14(25)9-23/h14-18,22-26H,1-4,7-9H2,5-6H3/t14-,15-,16+,17-,18-,21+/m0/s1",C=C(C(=O)OC)[C@H]1[C@H](O)[C@H](C(=C)CO)[C@@](C)(C(=C)O)C[C@@H]1OC(=O)C(=C)[C@@H](O)CO,C21H30O9,pos_1_1proton1ethylamine,426.18898254,TWXCADQDVNDWNH,Terpenoids,Sesquiterpenoids,Elemane sesquiterpenoids,Centaurea spinosa,569818.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea spinosa'],7,0,7.0
10820,675,-1,,,,0.0,MS1_match,HGFWSEPBYRBDOL-JVEAFJHYSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h8-10,12-19,21-22,24-26H,1,4-6H2,2-3H3/t8-,9+,10+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1",C=C1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C21H30O9,pos_1_1proton1ethylamine,426.1889825399998,HGFWSEPBYRBDOL,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
10821,675,-1,,,,0.0,MS1_match,FPYNOEOJFQHIMK-ZMFKIYIOSA-N,"InChI=1S/C21H30O9/c1-7-4-12(28-21-18(26)17(25)16(24)13(6-22)29-21)15-9(3)20(27)30-19(15)14-8(2)11(23)5-10(7)14/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC(=C)[C@@H]2C[C@H]1O,C21H30O9,pos_1_1proton1ethylamine,426.18898254,FPYNOEOJFQHIMK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,0,7.0
10822,675,-1,,,,0.0,MS1_match,VDGVSLYORGPBOK-ZNJBIABSSA-N,"InChI=1S/C21H34O9/c1-10(18(26)27)11-4-6-20(2)7-5-14(21(3,28)13(20)8-11)30-19-17(25)16(24)15(23)12(9-22)29-19/h11-17,19,22-25,28H,1,4-9H2,2-3H3,(H,26,27)/t11-,12-,13-,14+,15-,16+,17-,19+,20+,21-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(O)[C@@H]2C1,C21H34O9,pos_1_1proton1acetonitrile,430.220282668,VDGVSLYORGPBOK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
10823,674,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_1proton,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum hazenii,850013.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hazenii'],8,0,8.0
10824,674,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-WUIYOFAPSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22?,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1CC3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_1proton,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum sycophanta,3869921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sycophanta'],8,0,8.0
10825,674,-1,,,,0.0,MS1_match,OYNIUJOJEWHJPN-ASBKZRTJSA-N,"InChI=1S/C27H41NO/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24,28H,6,9-16H2,1-4H3/t17-,18+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C=CCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H41NO,pos_1_1proton,395.318814932,OYNIUJOJEWHJPN,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum mammosum,399736.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum mammosum'],8,0,8.0
10826,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,FURMTLFRXKAGLX-ABSDTBQOSA-N,"InChI=1S/C20H28O3/c1-19(2)9-4-10-20(3)16(15(12-21)6-8-17(19)20)7-5-14-11-18(22)23-13-14/h6,11-12,16-17H,4-5,7-10,13H2,1-3H3/t16-,17-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(C=O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,FURMTLFRXKAGLX,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis rufidula,7600164.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis rufidula'],6,3,7.5
10827,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,FURMTLFRXKAGLX-ABSDTBQOSA-N,"InChI=1S/C20H28O3/c1-19(2)9-4-10-20(3)16(15(12-21)6-8-17(19)20)7-5-14-11-18(22)23-13-14/h6,11-12,16-17H,4-5,7-10,13H2,1-3H3/t16-,17-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(C=O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,FURMTLFRXKAGLX,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis trinervis,217029.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis trinervis'],6,3,7.5
10828,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,FURMTLFRXKAGLX-ZWOKBUDYSA-N,"InChI=1S/C20H28O3/c1-19(2)9-4-10-20(3)16(15(12-21)6-8-17(19)20)7-5-14-11-18(22)23-13-14/h6,11-12,16-17H,4-5,7-10,13H2,1-3H3/t16-,17-,20-/m0/s1",CC1(C)CCC[C@@]2(C)[C@@H](CCC3=CC(=O)OC3)C(C=O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,FURMTLFRXKAGLX,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis eggersii,7599923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis eggersii'],6,3,7.5
10829,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,RJPFFVVAOWRVKZ-ABSDTBQOSA-N,"InChI=1S/C20H28O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,9,12-13,16-17H,4-5,7-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(C(=O)O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,RJPFFVVAOWRVKZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Gymnosperma glutinosum,19538.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gymnosperma'],['Gymnosperma glutinosum'],6,3,7.5
10830,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,RJPFFVVAOWRVKZ-ABSDTBQOSA-N,"InChI=1S/C20H28O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,9,12-13,16-17H,4-5,7-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(C(=O)O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,RJPFFVVAOWRVKZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis pingraea,3898912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis angustifolia'],6,3,7.5
10831,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,RJPFFVVAOWRVKZ-ABSDTBQOSA-N,"InChI=1S/C20H28O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,9,12-13,16-17H,4-5,7-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(C(=O)O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,RJPFFVVAOWRVKZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],6,3,7.5
10832,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,TYZZCGAADDLUNS-ZTNFWEORSA-N,"InChI=1S/C20H28O3/c1-13-10-16(21)18-19(2,3)8-5-9-20(18,4)15(13)7-6-14-11-17(22)23-12-14/h10-11,15,18H,5-9,12H2,1-4H3/t15-,18-,20+/m1/s1",CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC1=CC(=O)OC1,C20H28O3,pos_1_minus1proton1iron,316.203844756,TYZZCGAADDLUNS,Terpenoids,Diterpenoids,Labdane diterpenoids,Acritopappus confertus,5920784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acritopappus'],['Acritopappus confertus'],6,3,7.5
10833,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,RJPFFVVAOWRVKZ-ABSDTBQOSA-N,"InChI=1S/C20H28O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,9,12-13,16-17H,4-5,7-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(C(=O)O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,RJPFFVVAOWRVKZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis glutinosa,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],6,3,7.5
10834,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-UMGGQSCQSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Brickellia lemmonii,3899947.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia lemmonii'],6,3,7.5
10835,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-LCLWPZTBSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Critonia hebebotrya,5920824.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Critonia'],['Critonia hebebotrya'],6,3,7.5
10836,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-UMGGQSCQSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia sarothrae,991721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia sarothrae'],6,3,7.5
10837,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-UMGGQSCQSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Asanthus solidaginifolius,978358.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Asanthus'],['Asanthus solidaginifolius'],6,3,7.5
10838,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-UMGGQSCQSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20+/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Acanthostyles buniifolius,5746081.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Acanthostyles'],['Acanthostyles buniifolius'],6,3,7.5
10839,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-LCLWPZTBSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m1/s1",C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Nidorella welwitschii,7598384.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Nidorella'],['Nidorella welwitschii'],6,3,7.5
10840,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-CUDHKJQZSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Conyza schimperi,7598563.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Conyza'],['Conyza schimperi'],6,3,7.5
10841,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,ZQHJXKYYELWEOK-CUDHKJQZSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m0/s1",C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,ZQHJXKYYELWEOK,Terpenoids,Diterpenoids,Labdane diterpenoids,Brickellia glomerata,5794425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Brickellia'],['Brickellia glomerata'],6,3,7.5
10842,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,RJPFFVVAOWRVKZ-ABSDTBQOSA-N,"InChI=1S/C20H28O3/c1-19(2)10-4-11-20(3)16(7-5-14-9-12-23-13-14)15(18(21)22)6-8-17(19)20/h6,9,12-13,16-17H,4-5,7-8,10-11H2,1-3H3,(H,21,22)/t16-,17-,20+/m0/s1",CC1(C)CCC[C@]2(C)[C@@H](CCc3ccoc3)C(C(=O)O)=CC[C@@H]12,C20H28O3,pos_1_minus1proton1iron,316.203844756,RJPFFVVAOWRVKZ,Terpenoids,Diterpenoids,Labdane diterpenoids,Baccharis douglasii,3898909.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis douglasii'],6,3,7.5
10843,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IZRLEXPLVWDKBC-ONCXSQPRSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17+,19+,20+/m0/s1",CC1=CC[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)[C@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,IZRLEXPLVWDKBC,Terpenoids,Diterpenoids,Labdane diterpenoids,Gutierrezia resinosa,7599154.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Gutierrezia'],['Gutierrezia resinosa'],6,3,7.5
10844,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,IZRLEXPLVWDKBC-UMGGQSCQSA-N,"InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h5,9,12-13,16-17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t16-,17+,19+,20+/m1/s1",CC1=CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)O)[C@@H]1CCc1ccoc1,C20H28O3,pos_1_minus1proton1iron,316.203844756,IZRLEXPLVWDKBC,Terpenoids,Diterpenoids,Labdane diterpenoids,Stevia lucida,431728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia lucida'],6,3,7.5
10845,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JPRSLSQJXKYAEE-FRYIKTPZSA-N,"InChI=1S/C20H28O3/c1-14-12-15(21)16-17(2,3)6-5-7-18(16,4)20(14)9-8-19(23-20)10-11-22-13-19/h10-12,16H,5-9,13H2,1-4H3/t16-,18-,19-,20+/m0/s1",CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(C=COC1)O2,C20H28O3,pos_1_minus1proton1iron,316.203844756,JPRSLSQJXKYAEE,Terpenoids,Diterpenoids,Labdane diterpenoids,Solidago canadensis,872344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Solidago'],['Solidago canadensis'],6,3,7.5
10846,669,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,JHPRIWZCNRYXGI-BCLYJQJYSA-N,"InChI=1S/C20H28O3/c1-6-13(2)7-9-16-14(3)8-10-17-19(16,4)11-15(21)12-20(17,5)18(22)23/h6-7,16-17H,1,3,8-12H2,2,4-5H3,(H,22,23)/b13-7-/t16-,17+,19+,20+/m1/s1",C=C/C(C)=C\C[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CC(=O)C[C@]2(C)C(=O)O,C20H28O3,pos_1_minus1proton1iron,316.203844756,JHPRIWZCNRYXGI,Terpenoids,Diterpenoids,Labdane diterpenoids,Ichthyothere terminalis,685417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Millerieae'],['Ichthyothere'],['Ichthyothere terminalis'],6,3,7.5
10847,665,-1,,,,0.0,MS1_match,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,pos_1_1proton,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Cenchrus americanus,1079449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Cenchrus'],['Cenchrus americanus'],6,0,6.0
10848,665,-1,,,,0.0,MS1_match,KTHADMDGDNYQRX-UHFFFAOYSA-N,"InChI=1S/C11H11NO2/c1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10/h2-5,7,12H,6H2,1H3",COC(=O)Cc1c[nH]c2ccccc12,C11H11NO2,pos_1_1proton1ethylamine,189.078978592,KTHADMDGDNYQRX,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
10849,665,-1,,,,0.0,MS1_match,PNYGHERLKSFRMH-LBPRGKRZSA-N,"InChI=1S/C12H14N2O/c1-14-7-6-12(8-14)9-4-2-3-5-10(9)13-11(12)15/h2-5H,6-8H2,1H3,(H,13,15)/t12-/m0/s1",CN1CC[C@@]2(C1)C(=O)Nc1ccccc12,C12H14N2O,pos_1_1proton1methanol,202.110613068,PNYGHERLKSFRMH,Alkaloids,Tryptophan alkaloids,Simple oxindole alkaloids,Phalaris coerulescens,731036.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phalaris'],['Phalaris coerulescens'],6,0,6.0
10850,665,-1,,,,0.0,MS1_match,UTQNRZLKGDVLNM-UHFFFAOYSA-N,"InChI=1S/C13H18N2O2/c1-15(2)8-9-7-14-13-11(9)5-10(16-3)6-12(13)17-4/h5-7,14H,8H2,1-4H3",COc1cc(OC)c2[nH]cc(CN(C)C)c2c1,C13H18N2O2,pos_1_1proton,234.136827816,UTQNRZLKGDVLNM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Phalaris aquatica,647123.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Phalaris'],['Phalaris aquatica'],6,0,6.0
10851,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago australis,989047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago australis'],6,0,6.0
10852,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,0,6.0
10853,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,0,6.0
10854,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Penstemon acuminatus,34996.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon acuminatus'],6,0,6.0
10855,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
10856,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Campylanthus glaber,68974.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Campylanthus'],['Campylanthus glaber'],6,0,6.0
10857,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Digitalis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],6,0,6.0
10858,663,-1,,,,0.0,MS1_match,ILRCGYURZSFMEG-RGDJUOJXSA-N,"InChI=1S/C14H20O7/c15-7-10-11(17)12(18)13(19)14(21-10)20-6-5-8-1-3-9(16)4-2-8/h1-4,10-19H,5-7H2/t10-,11-,12+,13-,14+/m1/s1",OC[C@H]1O[C@H](OCCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O7,pos_1_1proton2acetonitrile,300.12090298,ILRCGYURZSFMEG,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Isoplexis chalcantha,173921.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Isoplexis'],['Isoplexis chalcantha'],6,0,6.0
10859,658,-1,,,,0.0,MS1_match,RRIMLWHUVCZACL-HPUCWRFUSA-N,"InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O,C36H58O9,pos_1_1proton1ammonium,634.4080834360001,RRIMLWHUVCZACL,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Rhaponticum uniflorum,452797.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum uniflorum'],7,0,7.0
10860,657,91,Terpenoids,Monoterpenoids,Cadinane sesquiterpenoids,0.35731402,ISDB,RJTIYSPPUSDOGM-UHFFFAOYSA-N,"InChI=1S/C16H20O2/c1-9(2)12-7-15(17)11(4)13-8-16(18-5)10(3)6-14(12)13/h6-9,17H,1-5H3",COc1cc2c(C)c(O)cc(C(C)C)c2cc1C,C16H20O2,,244.14632988,RJTIYSPPUSDOGM,Terpenoids,Monoterpenoids,,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],4,2,6.429256081581116
10861,657,91,Terpenoids,Monoterpenoids,Cadinane sesquiterpenoids,0.35731402,ISDB,RJTIYSPPUSDOGM-UHFFFAOYSA-N,"InChI=1S/C16H20O2/c1-9(2)12-7-15(17)11(4)13-8-16(18-5)10(3)6-14(12)13/h6-9,17H,1-5H3",COc1cc2c(C)c(O)cc(C(C)C)c2cc1C,C16H20O2,,244.14632988,RJTIYSPPUSDOGM,Terpenoids,Monoterpenoids,,Gossypium,800239.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Unknown'],4,2,6.429256081581116
10862,648,-1,,,,0.0,MS1_match,XFCGMIGOOIZCKE-UHFFFAOYSA-N,"InChI=1S/C12H10OS/c1-2-3-4-5-6-7-11-8-9-12(10-13)14-11/h2-3,8-9,13H,10H2,1H3",CC=CC#CC#Cc1ccc(CO)s1,C12H10OS,pos_1_1proton,202.04523594,XFCGMIGOOIZCKE,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
10863,648,-1,,,,0.0,MS1_match,XFCGMIGOOIZCKE-NSCUHMNNSA-N,"InChI=1S/C12H10OS/c1-2-3-4-5-6-7-11-8-9-12(10-13)14-11/h2-3,8-9,13H,10H2,1H3/b3-2+",C/C=C/C#CC#Cc1ccc(CO)s1,C12H10OS,pos_1_1proton,202.04523594,XFCGMIGOOIZCKE,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Rhaponticum carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
10864,648,-1,,,,0.0,MS1_match,XFCGMIGOOIZCKE-UHFFFAOYSA-N,"InChI=1S/C12H10OS/c1-2-3-4-5-6-7-11-8-9-12(10-13)14-11/h2-3,8-9,13H,10H2,1H3",CC=CC#CC#Cc1ccc(CO)s1,C12H10OS,pos_1_1proton,202.04523594,XFCGMIGOOIZCKE,Fatty acids,Fatty acyls,Oxygenated hydrocarbons,Xanthopappus subacaulis,772567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Xanthopappus'],['Xanthopappus subacaulis'],7,0,7.0
10865,645,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0
10866,645,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10867,645,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Cestrum parqui,868259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Cestreae'],['Cestrum'],['Cestrum parqui'],6,0,6.0
10868,645,-1,,,,0.0,MS1_match,NYLNHNDMNOPWAZ-MLONCLLVSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13-,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,pos_1_1proton,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.0
10869,643,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.2963215,ISDB,MFRDKFMNFJXLSH-UHFFFAOYSA-N,"InChI=1S/C12H13NO4/c1-13-4-3-7-8(12(13)14)5-9(15-2)11-10(7)16-6-17-11/h5H,3-4,6H2,1-2H3",COc1cc2c(c3c1OCO3)CCN(C)C2=O,C12H13NO4,,235.084457896,MFRDKFMNFJXLSH,Alkaloids,,,Thalictrum flavum,250783.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum flavum'],3,1,4.685286045074463
10870,643,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.2963215,ISDB,MFRDKFMNFJXLSH-UHFFFAOYSA-N,"InChI=1S/C12H13NO4/c1-13-4-3-7-8(12(13)14)5-9(15-2)11-10(7)16-6-17-11/h5H,3-4,6H2,1-2H3",COc1cc2c(c3c1OCO3)CCN(C)C2=O,C12H13NO4,,235.084457896,MFRDKFMNFJXLSH,Alkaloids,,,Thalictrum minus,491705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Unknown'],['Thalictrum'],['Thalictrum minus'],3,1,4.685286045074463
10871,638,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60783243,ISDB,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes,194043.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Unknown'],7,2,10.431329727172852
10872,638,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60783243,ISDB,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes koreana,765700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes koreana'],7,2,10.431329727172852
10873,638,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60783243,ISDB,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes lancea,194037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes lancea'],7,2,10.431329727172852
10874,638,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60783243,ISDB,TYPSVDGIQAOBAD-DZGCQCFKSA-N,"InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1",C=C1CCC[C@]2(C)Cc3occ(C)c3C[C@@H]12,C15H20O,,216.15141526,TYPSVDGIQAOBAD,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Atractylodes japonica,7052196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes japonica'],7,2,10.431329727172852
10875,637,-1,,,,0.0,MS1_match,VTYALRCJZUQYGF-WJPDVHSPSA-N,"InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h9-14,16-17,20,23-24,26-27,29,35,37H,7-8,15,18H2,1-6H3/b10-9+,12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCC/C=C/C=C\C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H42O7,pos_1_1proton,538.293053684,VTYALRCJZUQYGF,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia rigida,535724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia rigida'],7,0,7.0
10876,637,-1,,,,0.0,MS1_match,VTYALRCJZUQYGF-WJPDVHSPSA-N,"InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h9-14,16-17,20,23-24,26-27,29,35,37H,7-8,15,18H2,1-6H3/b10-9+,12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCC/C=C/C=C\C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H42O7,pos_1_1proton,538.293053684,VTYALRCJZUQYGF,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
10877,637,-1,,,,0.0,MS1_match,IDDLQFSLFADOOA-IMNYCCSCSA-N,"InChI=1S/C29H34O6/c1-15-12-20-22-21(27(22,5)6)13-17(3)28(23(20)31)14-16(2)25(34-18(4)30)29(28,33)24(15)35-26(32)19-10-8-7-9-11-19/h7-12,14,17,20-22,24-25,33H,13H2,1-6H3/t17-,20+,21-,22+,24-,25+,28+,29+/m1/s1",CC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(C)[C@@H](OC(=O)c4ccccc4)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C29H34O6,pos_1_1proton1isopropanol,478.235538808,IDDLQFSLFADOOA,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
10878,637,-1,,,,0.0,MS1_match,FXISXCYGAICATP-IMNYCCSCSA-N,"InChI=1S/C29H34O6/c1-15-12-20-22-21(27(22,5)6)13-17(3)28(23(20)31)14-16(2)25(29(28,33)24(15)34-18(4)30)35-26(32)19-10-8-7-9-11-19/h7-12,14,17,20-22,24-25,33H,13H2,1-6H3/t17-,20+,21-,22+,24-,25+,28+,29+/m1/s1",CC(=O)O[C@@H]1C(C)=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](OC(=O)c4ccccc4)[C@@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C29H34O6,pos_1_1proton1isopropanol,478.235538808,FXISXCYGAICATP,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
10879,637,-1,,,,0.0,MS1_match,PNTZNYAZPFEWIO-QXRALERCSA-N,"InChI=1S/C31H38O6/c1-18-12-14-23-24(30(23,5)6)16-19(2)29(35)31(37-21(4)32)17-20(3)28(26(31)27(18)34)36-25(33)15-13-22-10-8-7-9-11-22/h7-11,13,15-16,20,23-24,26-28,34H,1,12,14,17H2,2-6H3/b15-13+,19-16+/t20-,23-,24+,26-,27-,28-,31+/m0/s1",C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1O)C2(C)C,C31H38O6,pos_1_1proton1methanol,506.2668389359999,PNTZNYAZPFEWIO,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],7,0,7.0
10880,637,-1,,,,0.0,MS1_match,QMERYCNSXBRAEW-LPOYBKNWSA-N,"InChI=1S/C31H38O6/c1-17(2)27(33)37-30-15-19(4)31(35)23-12-18(3)25(32)22(23)13-20(14-24(31)26(30)29(30,5)6)16-36-28(34)21-10-8-7-9-11-21/h7-12,14,17,19,22-24,26,35H,13,15-16H2,1-6H3/t19-,22+,23-,24+,26-,30+,31+/m1/s1",CC1=C[C@@H]2[C@H](CC(COC(=O)c3ccccc3)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C(C)C)C[C@@H](C)[C@]23O)C1=O,C31H38O6,pos_1_1proton1methanol,506.266838936,QMERYCNSXBRAEW,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
10881,637,-1,,,,0.0,MS1_match,QMERYCNSXBRAEW-LPOYBKNWSA-N,"InChI=1S/C31H38O6/c1-17(2)27(33)37-30-15-19(4)31(35)23-12-18(3)25(32)22(23)13-20(14-24(31)26(30)29(30,5)6)16-36-28(34)21-10-8-7-9-11-21/h7-12,14,17,19,22-24,26,35H,13,15-16H2,1-6H3/t19-,22+,23-,24+,26-,30+,31+/m1/s1",CC1=C[C@@H]2[C@H](CC(COC(=O)c3ccccc3)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C(C)C)C[C@@H](C)[C@]23O)C1=O,C31H38O6,pos_1_1proton1methanol,506.266838936,QMERYCNSXBRAEW,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia pannonica,14597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pannonica'],7,0,7.0
10882,635,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton1ethylamine,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,1,9.5
10883,634,294,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,NVLTYOJHPBMILU-GMDXDWKASA-N,"InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1",N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1,C14H17NO7,pos_1_1proton1acetonitrile,311.100501884,NVLTYOJHPBMILU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Sorghum halepense,31907.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum halepense'],6,3,7.5
10884,634,294,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,NVLTYOJHPBMILU-YOVYLDAJSA-N,"InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1,C14H17NO7,pos_1_1proton1acetonitrile,311.100501884,NVLTYOJHPBMILU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Guadua angustifolia,501398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Guadua'],['Guadua angustifolia'],6,3,7.5
10885,634,294,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,NVLTYOJHPBMILU-YOVYLDAJSA-N,"InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1,C14H17NO7,pos_1_1proton1acetonitrile,311.100501884,NVLTYOJHPBMILU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Bambusa vulgaris,1087322.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa vulgaris'],6,3,7.5
10886,634,294,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,NVLTYOJHPBMILU-YOVYLDAJSA-N,"InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1,C14H17NO7,pos_1_1proton1acetonitrile,311.100501884,NVLTYOJHPBMILU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Sorghum bicolor,552986.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum bicolor'],6,3,7.5
10887,634,294,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,NVLTYOJHPBMILU-YOVYLDAJSA-N,"InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1",N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1,C14H17NO7,pos_1_1proton1acetonitrile,311.100501884,NVLTYOJHPBMILU,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,Sorghum arundinaceum,569680.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Sorghum'],['Sorghum arundinaceum'],6,3,7.5
10888,632,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,NPIUAXNFAUGNHP-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11/h4-7,13H,3H2,1-2H3",CCOC(=O)c1cc2cc(OC)ccc2[nH]1,C12H13NO3,pos_1_1proton1ammonium,219.089543276,NPIUAXNFAUGNHP,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
10889,632,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,YEBJVSLNUMZXRJ-UHFFFAOYSA-N,"InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)",COc1ccc2[nH]c(C(=O)O)cc2c1,C10H9NO3,pos_1_1proton1ethylamine,191.058243148,YEBJVSLNUMZXRJ,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
10890,632,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,TXWGINUZLBAKDF-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-7-9(6-12(14)15)10-5-8(16-2)3-4-11(10)13-7/h3-5,13H,6H2,1-2H3,(H,14,15)",COc1ccc2[nH]c(C)c(CC(=O)O)c2c1,C12H13NO3,pos_1_1proton1ammonium,219.089543276,TXWGINUZLBAKDF,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
10891,632,1052,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,YHKXBTJWCNPFQV-UHFFFAOYSA-N,"InChI=1S/C12H13NO3/c1-16-12(15)11(14)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3",COC(=O)C(O)Cc1c[nH]c2ccccc12,C12H13NO3,pos_1_1proton1ammonium,219.089543276,YHKXBTJWCNPFQV,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
10892,630,-1,,,,0.0,MS1_match,QHRLSLOEICSBNJ-MIJLFIHUSA-N,"InChI=1S/C31H36O11/c1-36-23-10-16(8-9-21(23)33)28-19-14-41-29(20(19)15-40-28)17-11-24(37-2)31(25(12-17)38-3)42-26(13-32)27(35)18-6-5-7-22(34)30(18)39-4/h5-12,19-20,26-29,32-35H,13-15H2,1-4H3/t19-,20-,26+,27+,28+,29+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@@H](CO)[C@@H](O)c3cccc(O)c3OC)c(OC)c2)ccc1O,C31H36O11,pos_1_1sodium,584.2257619719999,QHRLSLOEICSBNJ,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
10893,628,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4281038,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Erythrina crista-galli,84915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Erythrina'],['Erythrina crista-galli'],4,3,7.2124152183532715
10894,628,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4281038,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Romneya coulteri,565714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Romneya'],['Romneya coulteri'],4,3,7.2124152183532715
10895,628,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4281038,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],4,3,7.2124152183532715
10896,628,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4281038,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Xylopia parviflora,1030229.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Xylopieae'],['Xylopia'],['Xylopia parviflora'],4,3,7.2124152183532715
10897,628,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4281038,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Aristolochia gigantea,186420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Aristolochiaceae'],['Unknown'],['Aristolochia'],['Aristolochia gigantea'],4,3,7.2124152183532715
10898,628,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4281038,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Clematis parviloba,5737758.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Anemoneae'],['Clematis'],['Clematis parviloba'],4,3,7.2124152183532715
10899,628,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.4281038,ISDB,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Delphinium pentagynum,782529.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Ranunculaceae'],['Delphinieae'],['Delphinium'],['Delphinium pentagynum'],4,3,7.2124152183532715
10900,627,-1,,,,0.0,MS1_match,YDIBJNYWGGQDRW-WEJOUWBKSA-N,"InChI=1S/C29H36O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(35-27(34)21-10-8-7-9-11-21)19(3)16-29(22,26(17)33)36-20(4)30/h7-14,17,19,22-23,25,31H,15-16H2,1-6H3/b13-12-,18-14-/t17-,19-,22+,23-,25+,29-/m1/s1",CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(/C)[C@H](O)CC(=O)C(C)(C)/C=C\[C@@H](C)C2=O,C29H36O7,pos_1_1proton1ammonium,496.246103492,YDIBJNYWGGQDRW,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
10901,627,-1,,,,0.0,MS1_match,DDZFDKVXEAOLQA-HQSISCBMSA-N,"InChI=1S/C29H36O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(35-27(34)21-10-8-7-9-11-21)19(3)16-29(22,26(17)33)36-20(4)30/h7-12,14,19,22-23,25,31H,13,15-16H2,1-6H3/b17-12+,18-14+/t19-,22+,23-,25+,29-/m1/s1",CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)C/C=C(\C)C2=O,C29H36O7,pos_1_1proton1ammonium,496.2461034919999,DDZFDKVXEAOLQA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
10902,625,185,Amino acids and Peptides,Small peptides,Dipeptides,0.29630077,ISDB,FTTGAAZKBNZDCZ-LURJTMIESA-N,"InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1",CC(=O)N[C@@H](CCCC(=O)O)C(=O)O,C8H13NO5,,203.079372516,FTTGAAZKBNZDCZ,Amino acids and Peptides,Small peptides,Dipeptides,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],1,3,3.6852030754089355
10903,625,185,Amino acids and Peptides,Small peptides,Dipeptides,0.29630077,ISDB,FTTGAAZKBNZDCZ-LURJTMIESA-N,"InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1",CC(=O)N[C@@H](CCCC(=O)O)C(=O)O,C8H13NO5,,203.079372516,FTTGAAZKBNZDCZ,Amino acids and Peptides,Small peptides,Dipeptides,Euglena gracilis,1073327.0,['Eukaryota'],['Unknown'],['Euglenida'],['Euglenophyceae'],['Unknown'],['Euglenaceae'],['Unknown'],['Euglena'],['Euglena gracilis'],1,3,3.6852030754089355
10904,625,185,Amino acids and Peptides,Small peptides,Dipeptides,0.29630077,ISDB,FTTGAAZKBNZDCZ-LURJTMIESA-N,"InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t6-/m0/s1",CC(=O)N[C@@H](CCCC(=O)O)C(=O)O,C8H13NO5,,203.079372516,FTTGAAZKBNZDCZ,Amino acids and Peptides,Small peptides,Dipeptides,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],1,3,3.6852030754089355
10905,625,185,Amino acids and Peptides,Small peptides,Dipeptides,0.29630077,ISDB,FTTGAAZKBNZDCZ-UHFFFAOYSA-N,"InChI=1S/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)",CC(=O)NC(CCCC(=O)O)C(=O)O,C8H13NO5,,203.079372516,FTTGAAZKBNZDCZ,Amino acids and Peptides,Small peptides,Dipeptides,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],1,3,3.6852030754089355
10906,622,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.3934327,ISDB,NYLNHNDMNOPWAZ-ZLEFDVGRSA-N,"InChI=1S/C19H32O7/c1-10-7-12(21)8-19(3,4)13(10)6-5-11(2)25-18-17(24)16(23)15(22)14(9-20)26-18/h7,11,13-18,20,22-24H,5-6,8-9H2,1-4H3/t11-,13+,14-,15-,16+,17-,18-/m1/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H32O7,,372.2148033639999,NYLNHNDMNOPWAZ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,1,10.073730826377869
10907,621,706,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.6124558,ISDB,JYLMHTHQKBETEO-UHFFFAOYSA-N,"InChI=1S/C16H18O5/c1-7(2)11-9-5-8(3)16(21-4)15(20)12(9)10(6-17)13(18)14(11)19/h5-7,18-20H,1-4H3",COc1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O,C16H18O5,,290.115423676,JYLMHTHQKBETEO,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Gossypium raimondii,79347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium raimondii'],6,3,9.949823141098022
10908,619,-1,,,,0.2734204,ISDB,WALCWEJDMSYABA-KTRFSCICSA-N,"InChI=1S/C29H46O4/c1-24(17-30)10-12-29(16-24)13-11-27(4)19(14-29)6-7-22-25(2)15-20(32)23(33)26(3,18-31)21(25)8-9-28(22,27)5/h6-7,14,20-23,30-33H,8-13,15-18H2,1-5H3/t20-,21-,22-,23-,24+,25+,26+,27-,28-,29+/m1/s1",C[C@]1(CO)CC[C@]2(C=C3C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C1,C29H46O4,,458.3396099519999,WALCWEJDMSYABA,Terpenoids,Triterpenoids,Oleanane triterpenoids,Phlomoides hamosa,909061.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Phlomideae'],['Phlomoides'],['Phlomoides hamosa'],5,0,6.093681573867798
10909,617,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.43238184,ISDB,IOHPVZBSOKLVMN-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,17)",O=C(O)c1ccccc1CCc1ccccc1,C15H14O2,,226.099379688,IOHPVZBSOKLVMN,Shikimates and Phenylpropanoids,Stilbenoids,Monomeric stilbenes,Cichorium intybus,692350.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Cichorium'],['Cichorium intybus'],6,0,7.7295273542404175
10910,614,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RZRVFWGHJJZBJQ-XNISGKROSA-N,"InChI=1S/C16H17NO7/c1-22-17-7-9(10-4-2-3-5-11(10)17)6-15(20)14(19)24-13-12(18)8-23-16(13,15)21/h2-5,7,12-13,18,20-21H,6,8H2,1H3/t12-,13+,15+,16-/m0/s1",COn1cc(C[C@@]2(O)C(=O)O[C@@H]3[C@@H](O)CO[C@@]32O)c2ccccc21,C16H17NO7,pos_1_1sodium,335.100501884,RZRVFWGHJJZBJQ,Alkaloids,,,Eutrema halophilum,991618.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema halophilum'],6,0,6.0
10911,612,202,Shikimates and Phenylpropanoids,Stilbenoids,Cinnamic acids and derivatives,0.0,MS1_match,YLCIIGMCDMDYJF-JTNHKYCSSA-N,"InChI=1S/C14H16O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-11,14-18H,3-4,6H2/t10-,11-,14-/m1/s1",O=C1C(=O)[C@H](O)[C@@H](CO)O[C@H]1OCCc1ccc(O)c(O)c1,C14H16O8,pos_1_1proton1ammonium,312.084517472,YLCIIGMCDMDYJF,,,,Chelone obliqua,710204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Chelone'],['Chelone obliqua'],6,0,6.0
10912,610,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1sodium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
10913,610,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1sodium,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,3,10.5
10914,607,1449,Fatty acids,Octadecanoids,Other Octadecanoids,0.54646456,ISDB,WTLVYAWQAPUBFY-UTLPMFLDSA-N,"InChI=1S/C18H28O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,21,22)/b13-9+,14-10+",CCCCCCC(=O)/C=C/C=C/C(=O)CCCCCC(=O)O,C18H28O4,,308.198759376,WTLVYAWQAPUBFY,Fatty acids,Octadecanoids,Other Octadecanoids,Ostodes paniculata,1028448.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Codiaeae'],['Ostodes'],['Ostodes paniculata'],1,3,4.685858249664307
10915,607,1449,Fatty acids,Octadecanoids,Other Octadecanoids,0.54646456,ISDB,WTLVYAWQAPUBFY-UHFFFAOYSA-N,"InChI=1S/C18H28O4/c1-2-3-4-6-11-16(19)13-9-10-14-17(20)12-7-5-8-15-18(21)22/h9-10,13-14H,2-8,11-12,15H2,1H3,(H,21,22)",CCCCCCC(=O)C=CC=CC(=O)CCCCCC(=O)O,C18H28O4,,308.198759376,WTLVYAWQAPUBFY,Fatty acids,Octadecanoids,Other Octadecanoids,Pleurocybella porrigens,388480.0,['Eukaryota'],['Fungi'],['Basidiomycota'],['Agaricomycetes'],['Agaricales'],['Marasmiaceae'],['Unknown'],['Pleurocybella'],['Pleurocybella porrigens'],1,3,4.685858249664307
10916,606,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.8047009,ISDB,WDSLWIVFXAGWAV-AYDFFVQHSA-N,"InChI=1S/C16H16O6/c1-10(17)21-12-7-8-13-16(22-13,14(12)18)9-20-15(19)11-5-3-2-4-6-11/h2-8,12-14,18H,9H2,1H3/t12-,13-,14+,16-/m0/s1",CC(=O)O[C@H]1C=C[C@@H]2O[C@]2(COC(=O)c2ccccc2)[C@@H]1O,C16H16O6,,304.09468823199995,WDSLWIVFXAGWAV,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Uvaria pandensis,363735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Magnoliales'],['Annonaceae'],['Uvarieae'],['Uvaria'],['Uvaria pandensis'],4,0,7.218803644180298
10917,605,109,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,pos_1_1proton1methanol,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
10918,605,109,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,PMOWTIHVNWZYFI-UHFFFAOYSA-N,"InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)",O=C(O)C=Cc1ccccc1O,C9H8O3,pos_1_1proton1methanol,164.047344116,PMOWTIHVNWZYFI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
10919,605,109,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,0.0,MS1_match,OJOBTAOGJIWAGB-UHFFFAOYSA-N,"InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3",COc1cc(C(C)=O)cc(OC)c1O,C10H12O4,pos_1_1proton,196.073558864,OJOBTAOGJIWAGB,Shikimates and Phenylpropanoids,,,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
10920,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
10921,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
10922,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
10923,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
10924,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
10925,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
10926,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
10927,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
10928,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
10929,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
10930,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
10931,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
10932,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica alpina,653033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica alpina'],8,0,8.0
10933,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
10934,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
10935,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
10936,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,0,8.0
10937,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
10938,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
10939,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
10940,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
10941,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
10942,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
10943,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica liwanensis,131118.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica liwanensis'],8,0,8.0
10944,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
10945,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
10946,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
10947,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica fuhsii,394205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica fuhsii'],8,0,8.0
10948,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica pulvinaris,609649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica pulvinaris'],8,0,8.0
10949,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica thomsonii,609642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thomsonii'],8,0,8.0
10950,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Besseya alpina,958244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica besseya'],8,0,8.0
10951,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica lavaudiana,609624.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica lavaudiana'],8,0,8.0
10952,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
10953,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica ligustrifolia,5800649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica ligustrifolia'],8,0,8.0
10954,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica salicifolia,7053938.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica salicifolia'],8,0,8.0
10955,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-CLLMHHLUSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14?,15-/m1/s1",OC[C@H]1OC(O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica filiformis,1065760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica filiformis'],8,0,8.0
10956,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-PZYDOOQISA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1",OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O,C15H22O10,pos_1_1potassium,362.1212969039999,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica officinalis,492806.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica officinalis'],8,0,8.0
10957,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica turrilliana,1065765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica turrilliana'],8,0,8.0
10958,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica cymbalaria,131114.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica cymbalaria'],8,0,8.0
10959,601,-1,,,,0.0,MS1_match,LHDWRKICQLTVDL-UHFFFAOYSA-N,"InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2",OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O,C15H22O10,pos_1_1potassium,362.121296904,LHDWRKICQLTVDL,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica austriaca,653037.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica austriaca'],8,0,8.0
10960,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,3,7.5
10961,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,3,7.5
10962,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,3,7.5
10963,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,3,7.5
10964,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,3,7.5
10965,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,3,7.5
10966,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea officinalis,643492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea officinalis'],6,3,7.5
10967,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea armeniaca,447106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea armeniaca'],6,3,7.5
10968,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Althaea broussonetiifolia,6117054.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Althaea'],['Althaea broussonetiifolia'],6,3,7.5
10969,600,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,FBUKVWPVBMHYJY-UHFFFAOYSA-N,"InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)",CCCCCCCCC(=O)O,C9H18O2,pos_2MHCH3CN,158.130679816,FBUKVWPVBMHYJY,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia cordata,218598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia cordata'],6,3,7.5
10970,599,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.7946909,ISDB,VWBWQPAZMNABMR-MGUDENHHSA-N,"InChI=1S/C21H22O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-26,28-29H,7H2/t13-,15-,17+,18-,19+,20+,21+/m1/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H22O11,,450.116211524,VWBWQPAZMNABMR,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Phyllanthus tenellus,411869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus tenellus'],5,2,9.178763628005981
10971,596,-1,,,,0.32369447,ISDB,CNPNWGHRMBQHBZ-ZKWXMUAHSA-N,"InChI=1S/C11H21N3O4/c1-3-6(2)9(13)10(16)14-7(11(17)18)4-5-8(12)15/h6-7,9H,3-5,13H2,1-2H3,(H2,12,15)(H,14,16)(H,17,18)/t6-,7-,9-/m0/s1",CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O,C11H21N3O4,,259.153206152,CNPNWGHRMBQHBZ,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],3,0,4.294777870178223
10972,593,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7126015,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,1,9.350405931472778
10973,593,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7126015,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,1,9.350405931472778
10974,593,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7126015,ISDB,LTUMRKDLVGQMJU-IUBLYSDUSA-N,"InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+",CC(=O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C,C18H30O,,262.22966558,LTUMRKDLVGQMJU,Fatty acids,Fatty acyls,Fatty aldehydes,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,1,9.350405931472778
10975,592,-1,,,,0.42260623,ISDB,IASCUFOSNJQPHV-PELDMCHLSA-N,"InChI=1S/C22H28O2/c1-2-3-4-5-6-7-8-15-16-11-12-17-18(22(23)24)10-9-14-13-19(15)21(16)20(14)17/h3-6,9-12,14-21H,2,7-8,13H2,1H3,(H,23,24)/b4-3-,6-5+/t14-,15-,16-,17+,18-,19+,20-,21-/m1/s1",CC/C=C\C=C\CC[C@@H]1[C@H]2C=C[C@@H]3[C@@H]4[C@H]2[C@H]1C[C@H]4C=C[C@H]3C(=O)O,C22H28O2,,324.208930136,IASCUFOSNJQPHV,Polyketides,Cyclic polyketides,Monacolins and Monacolin derivatives,Beilschmiedia erythrophloia,3867009.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Laurales'],['Lauraceae'],['Unknown'],['Beilschmiedia'],['Beilschmiedia erythrophloia'],4,0,5.690424919128418
10976,589,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.72676325,ISDB,PSJUKNBMBYBQSO-IKKZXAHCSA-N,"InChI=1S/C13H18O/c1-8-3-4-11-12(14)9(2)10-5-6-13(8,11)7-10/h8,10-11H,2-7H2,1H3/t8-,10+,11?,13-/m0/s1",C=C1C(=O)C2CC[C@H](C)[C@@]23CC[C@@H]1C3,C13H18O,,190.135765196,PSJUKNBMBYBQSO,Terpenoids,Sesquiterpenoids,,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],1,1,4.407052993774414
10977,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio olivaceobracteatus,7609545.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio olivaceobracteatus'],4,3,8.55015778541565
10978,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio subsessilis,6057026.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio subsessilis'],4,3,8.55015778541565
10979,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio lydenburgensis,6056932.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio lydenburgensis'],4,3,8.55015778541565
10980,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Culcitium canescens,1049101.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Culcitium'],['Culcitium canescens'],4,3,8.55015778541565
10981,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Parasenecio hastatus,7051982.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Parasenecio'],['Parasenecio hastatus'],4,3,8.55015778541565
10982,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Cacalia hastata,4727344.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Cacalia'],['Cacalia hastata'],4,3,8.55015778541565
10983,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Senecio crispus,7609086.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio crispus'],4,3,8.55015778541565
10984,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Psacalium radulifolium,6056988.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Psacalium'],['Psacalium radulifolium'],4,3,8.55015778541565
10985,586,694,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.76253945,ISDB,WCJNJWNPAYBQPW-VIFPVBQESA-N,"InChI=1S/C16H18O2/c1-9-6-5-7-12-13(9)11(3)14-10(2)8-18-16(14)15(12)17-4/h5,7-9H,6H2,1-4H3/t9-/m0/s1",COc1c2c(c(C)c3c(C)coc13)[C@@H](C)CC=C2,C16H18O2,,242.130679816,WCJNJWNPAYBQPW,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Euryops linifolius,813660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Euryops'],['Euryops linifolius'],4,3,8.55015778541565
10986,584,287,Terpenoids,Steroids,Ergostane steroids,0.0,MS1_match,AFBUGKSTCXETMA-IHDABQKYSA-N,"InChI=1S/C29H44O7/c1-14-11-22(35-25(32)15(14)2)28(5,33)20-8-7-17-16-12-23-29(36-23)24(31)19(34-6)13-21(30)27(29,4)18(16)9-10-26(17,20)3/h14-20,22-24,31,33H,7-13H2,1-6H3/t14-,15+,16-,17-,18-,19-,20-,22+,23+,24-,26-,27-,28+,29-/m0/s1",CO[C@H]1CC(=O)[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H]5C[C@H](C)[C@@H](C)C(=O)O5)CC[C@H]4[C@@H]3C[C@H]3O[C@]32[C@H]1O,C29H44O7,pos_1_minus1proton1magnesium,504.308703748,AFBUGKSTCXETMA,Terpenoids,Steroids,Ergostane steroids,Withania somnifera,374058.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Withania'],['Withania somnifera'],6,3,7.5
10987,580,-1,,,,0.50393826,ISDB,ATMSEJBABXCWDW-UHFFFAOYSA-N,"InChI=1S/C15H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)",CCCCCCCCCCCCC(O)CC(=O)O,C15H30O3,,258.21949482,ATMSEJBABXCWDW,Fatty acids,Fatty Acids and Conjugates,Hydroxy fatty acids,Pseudosuberites,1097528.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Suberitida'],['Suberitidae'],['Unknown'],['Pseudosuberites'],['Unknown'],2,0,4.0157530307769775
10988,577,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
10989,577,-1,,,,0.0,MS1_match,FKIYLTVJPDLUDL-ZWUNSDNISA-N,"InChI=1S/C27H30O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-8,10,18,20-29,31-36H,9H2,1H3/t10-,18+,20-,21+,22-,23-,24-,25-,26+,27+/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,FKIYLTVJPDLUDL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
10990,577,-1,,,,0.0,MS1_match,YQIWCUKZIPUVPY-KISRDTOPSA-N,"InChI=1S/C27H30O14/c1-37-16-7-13(31)18-12(30)6-15(10-2-4-11(29)5-3-10)39-24(18)19(16)25-26(22(35)21(34)17(8-28)40-25)41-27-23(36)20(33)14(32)9-38-27/h2-7,14,17,20-23,25-29,31-36H,8-9H2,1H3/t14-,17-,20+,21+,22-,23+,25-,26+,27+/m0/s1",COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,YQIWCUKZIPUVPY,,,,Deschampsia antarctica,3490.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Deschampsia'],['Deschampsia antarctica'],6,0,6.0
10991,577,-1,,,,0.0,MS1_match,QXHHBGFIPDPRAX-QUWARRLQSA-N,"InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3/t8-,9+,19+,20-,22-,23+,24-,25+,26-,27+/m1/s1",C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C)O[C@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,QXHHBGFIPDPRAX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,0,6.0
10992,577,-1,,,,0.0,MS1_match,QXHHBGFIPDPRAX-SGLOTMMYSA-N,"InChI=1S/C27H30O14/c1-8-20(33)23(36)26(41-27-24(37)22(35)19(32)9(2)39-27)25(38-8)18-14(31)7-16-17(21(18)34)13(30)6-15(40-16)10-3-4-11(28)12(29)5-10/h3-9,19-20,22-29,31-37H,1-2H3/t8-,9-,19-,20+,22+,23+,24+,25+,26-,27-/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@@H]2c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,QXHHBGFIPDPRAX,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
10993,577,-1,,,,0.0,MS1_match,UKNXXFWLEJRJCY-NCJQNZQYSA-N,"InChI=1S/C27H30O14/c1-9-22(33)14(32)6-16(38-9)21-18(40-27-26(37)25(36)23(34)19(8-28)41-27)7-17-20(24(21)35)13(31)5-15(39-17)10-2-3-11(29)12(30)4-10/h2-5,7,9,14,16,19,22-23,25-30,32-37H,6,8H2,1H3/t9-,14+,16-,19-,22+,23-,25+,26-,27-/m1/s1",C[C@H]1O[C@@H](c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,UKNXXFWLEJRJCY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,0,6.0
10994,577,-1,,,,0.0,MS1_match,NJNUVWMGNSDFQJ-GIZWKEFHSA-N,"InChI=1S/C27H30O14/c1-9-22(33)14(32)7-17(38-9)20-13(31)6-18-21(24(20)35)12(30)5-16(39-18)10-2-3-15(11(29)4-10)40-27-26(37)25(36)23(34)19(8-28)41-27/h2-6,9,14,17,19,22-23,25-29,31-37H,7-8H2,1H3/t9-,14+,17-,19-,22+,23-,25+,26-,27-/m1/s1",C[C@H]1O[C@@H](c2c(O)cc3oc(-c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)c4)cc(=O)c3c2O)C[C@H](O)[C@H]1O,C27H30O14,pos_1_1proton1ethylamine,578.16355564,NJNUVWMGNSDFQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Fargesia robusta,394166.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Fargesia'],['Fargesia robusta'],6,0,6.0
10995,573,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,WRYKUJXIOXKRKR-YRILPIOLSA-N,"InChI=1S/C21H26O2/c1-10-7-8-14-18(21(14,4)5)16-12(3)20(23-6)13-9-11(2)19(22)17(13)15(10)16/h11,14,18H,1,7-9H2,2-6H3/t11-,14-,18-/m1/s1",C=C1CC[C@@H]2[C@H](c3c(C)c(OC)c4c(c31)C(=O)[C@H](C)C4)C2(C)C,C21H26O2,pos_1_1proton1methanol,310.193280072,WRYKUJXIOXKRKR,Terpenoids,Diterpenoids,Jatropholane diterpenoids,Jatropha multifida,864022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Jatropheae'],['Jatropha'],['Jatropha multifida'],6,2,7.0
10996,572,-1,,,,0.0,MS1_match,VNKCRRIDZAQRBP-QSLWVIQJSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h10-14,16H,1-6H2/t10-,11-,12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,VNKCRRIDZAQRBP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
10997,572,-1,,,,0.0,MS1_match,UQNONRHPSCIIJO-BNYHBGRESA-N,"InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1",C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3CC(=O)C(C)=C3C[C@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,UQNONRHPSCIIJO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Xeranthemum cylindraceum,795397.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Xeranthemum'],['Xeranthemum cylindraceum'],7,0,7.0
10998,572,-1,,,,0.0,MS1_match,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,pos_1_1proton1ammonium,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,0,7.0
10999,572,-1,,,,0.0,MS1_match,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,pos_1_1proton1ammonium,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
11000,572,-1,,,,0.0,MS1_match,QJVGVRZZNZSYMG-YOMIOTDVSA-N,"InChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11-12H,1-2,4,6,8H2,3H3,(H,17,18)/t11-,12?,15+/m1/s1",C=C1C(=O)C=C[C@]2(C)CC[C@@H](C(=C)C(=O)O)CC12,C15H18O3,pos_1_1proton1ammonium,246.125594436,QJVGVRZZNZSYMG,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
11001,572,-1,,,,0.0,MS1_match,JJRYPZMXNLLZFH-URWSZGRFSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+/t13-/m1/s1",CC(=O)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_1_1proton1acetonitrile,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Mantisalca salmantica,1086843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Mantisalca'],['Mantisalca salmantica'],7,0,7.0
11002,572,-1,,,,0.0,MS1_match,KUQPXODYYPYTSX-WCPYMQEGSA-N,"InChI=1S/C15H18O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,9-11,13H,1,6-7H2,2-3H3/t9-,10+,11-,13+,15+/m0/s1",C=C1C(=O)O[C@@H]2C[C@@]3(C)C=CC(=O)[C@@H](C)[C@@H]3C[C@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,KUQPXODYYPYTSX,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,0,7.0
11003,572,-1,,,,0.0,MS1_match,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,pos_1_1proton1ammonium,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,0,7.0
11004,572,-1,,,,0.0,MS1_match,XFVLNEYIZGZDHP-PEDHHIEDSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)15(17)18-14(10)13-9(3)12(16)6-11(7)13/h10-14,16H,1-6H2/t10-,11-,12-,13-,14-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H18O3,pos_1_1proton1ammonium,246.125594436,XFVLNEYIZGZDHP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,0,7.0
11005,572,-1,,,,0.0,MS1_match,VNKCRRIDZAQRBP-QSLWVIQJSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h10-14,16H,1-6H2/t10-,11-,12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,VNKCRRIDZAQRBP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,0,7.0
11006,572,-1,,,,0.0,MS1_match,VNKCRRIDZAQRBP-QSLWVIQJSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h10-14,16H,1-6H2/t10-,11-,12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,VNKCRRIDZAQRBP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
11007,572,-1,,,,0.0,MS1_match,VNKCRRIDZAQRBP-QSLWVIQJSA-N,"InChI=1S/C15H18O3/c1-7-4-5-10-8(2)6-11(16)13-9(3)15(17)18-14(13)12(7)10/h10-14,16H,1-6H2/t10-,11-,12-,13+,14+/m0/s1",C=C1CC[C@H]2C(=C)C[C@H](O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,VNKCRRIDZAQRBP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
11008,572,-1,,,,0.0,MS1_match,QXJYIGSXUBOSID-CLPVKGIJSA-N,"InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h9,11-13H,2,4-6H2,1,3H3/t9-,11-,12-,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1C[C@@H]3O[C@]3(C)[C@@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,QXJYIGSXUBOSID,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,0,7.0
11009,572,-1,,,,0.0,MS1_match,QXJYIGSXUBOSID-CLPVKGIJSA-N,"InChI=1S/C15H18O3/c1-7-4-5-9-8(2)14(16)17-13(9)12-10(7)6-11-15(12,3)18-11/h9,11-13H,2,4-6H2,1,3H3/t9-,11-,12-,13-,15-/m0/s1",C=C1C(=O)O[C@H]2[C@H]1CCC(C)=C1C[C@@H]3O[C@]3(C)[C@@H]12,C15H18O3,pos_1_1proton1ammonium,246.125594436,QXJYIGSXUBOSID,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amberboa ramosa,7612724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amberboa'],['Amberboa ramosa'],7,0,7.0
11010,571,-1,,,,0.0,MS1_match,CXQWRCVTCMQVQX-UHFFFAOYSA-N,"InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H",O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1O,C15H12O7,pos_1_1sodium,304.058302724,CXQWRCVTCMQVQX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Excoecaria acerifolia,3911655.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria acerifolia'],6,0,6.0
11011,569,558,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,0.0,MS1_match,NVEQFIOZRFFVFW-RGCMKSIDSA-N,"InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1",C=C1CC[C@H]2O[C@]2(C)CC[C@@H]2[C@@H]1CC2(C)C,C15H24O,pos_1_1proton,220.182715388,NVEQFIOZRFFVFW,Terpenoids,Sesquiterpenoids,Caryophyllane sesquiterpenoids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
11012,566,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8833181,ISDB,QBLQLKNOKUHRCH-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,QBLQLKNOKUHRCH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia stepposa,535737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia stepposa'],7,3,12.033272504806519
11013,566,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.8833181,ISDB,QBLQLKNOKUHRCH-UHFFFAOYSA-N,"InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2",O=C1CC(c2ccc(O)cc2O)Oc2cc(O)cc(O)c21,C15H12O6,,288.063388104,QBLQLKNOKUHRCH,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,3,12.033272504806519
11014,563,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.47496724,ISDB,UNEJIRZYTHVVEM-UHFFFAOYSA-N,"InChI=1S/C16H14O5/c1-21-15-8-11(17)7-13(19)16(15)14(20)9-12(18)10-5-3-2-4-6-10/h2-8,17,19H,9H2,1H3",COc1cc(O)cc(O)c1C(=O)CC(=O)c1ccccc1,C16H14O5,,286.084123548,UNEJIRZYTHVVEM,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Baccharis salicifolia,257895.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Baccharis'],['Baccharis salicifolia'],4,0,5.899868965148926
11015,561,-1,,,,0.0,MS1_match,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1sodium,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
11016,558,264,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CFUFRWCJGZYVHK-OIFGPBIKSA-N,"InChI=1S/C16H21NO11/c1-24-7-4-3-6-12(13(7)25-2)27-16(14(22)17(6)23)28-15-11(21)10(20)9(19)8(5-18)26-15/h3-4,8-11,15-16,18-21,23H,5H2,1-2H3/t8-,9-,10+,11-,15+,16-/m1/s1",COc1ccc2c(c1OC)O[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O,C16H21NO11,pos_1_1proton1methanol,403.111460492,CFUFRWCJGZYVHK,,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
11017,557,250,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,QQBUHYQVKJQAOB-UHFFFAOYSA-N,"InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2",C=Cc1ccco1,C6H6O,pos_1_1proton1acetonitrile,94.041864812,QQBUHYQVKJQAOB,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
11018,556,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,KARNWFDIYRKBOE-BHSPTIPFSA-N,"InChI=1S/C21H28O13/c1-9-16(29)17(30)18(31)21(32-9)34-20(14(27)8-23)19(13(26)7-22)33-15(28)5-3-10-2-4-11(24)12(25)6-10/h2-6,8-9,13-14,16-22,24-27,29-31H,7H2,1H3/b5-3+/t9-,13+,14-,16-,17+,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]([C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)CO)[C@@H](O)C=O)[C@H](O)[C@H](O)[C@H]1O,C21H28O13,pos_1_1proton1ammonium,488.152990956,KARNWFDIYRKBOE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago depressa,1004414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago depressa'],6,3,7.5
11019,556,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,KARNWFDIYRKBOE-BHSPTIPFSA-N,"InChI=1S/C21H28O13/c1-9-16(29)17(30)18(31)21(32-9)34-20(14(27)8-23)19(13(26)7-22)33-15(28)5-3-10-2-4-11(24)12(25)6-10/h2-6,8-9,13-14,16-22,24-27,29-31H,7H2,1H3/b5-3+/t9-,13+,14-,16-,17+,18+,19+,20+,21-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]([C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)CO)[C@@H](O)C=O)[C@H](O)[C@H](O)[C@H]1O,C21H28O13,pos_1_1proton1ammonium,488.152990956,KARNWFDIYRKBOE,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago lanceolata,376074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lanceolata'],6,3,7.5
11020,553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5178664,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio linifolius,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,8.071465492248535
11021,553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5178664,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio mitophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,8.071465492248535
11022,553,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.5178664,ISDB,ORPAHBDBLIUBFY-UHFFFAOYSA-N,"InChI=1S/C15H14O2/c1-9-5-4-6-11-12(9)7-13-10(2)8-17-15(13)14(11)16-3/h4-8H,1-3H3",COc1c2cccc(C)c2cc2c(C)coc12,C15H14O2,,226.099379688,ORPAHBDBLIUBFY,,,,Senecio odontophyllus,166287.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Senecioneae'],['Senecio'],['Senecio linifolius'],6,0,8.071465492248535
11023,549,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,YQUVCSBJEUQKSH-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)",O=C(O)c1ccc(O)c(O)c1,C7H6O4,pos_1_1proton1acetonitrile,154.026608672,YQUVCSBJEUQKSH,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
11024,549,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,WXTMDXOMEHJXQO-UHFFFAOYSA-N,"InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)",O=C(O)c1cc(O)ccc1O,C7H6O4,pos_1_1proton1acetonitrile,154.026608672,WXTMDXOMEHJXQO,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
11025,548,-1,,,,0.6754369,ISDB,IHQKZXXEUOQSEW-UHFFFAOYSA-N,"InChI=1S/C15H24O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h6,9,11,16-17H,4-5,7-8,10H2,1-3H3",CC1CCC=C2CCC(C(C)(O)CO)=CC21C,C15H24O2,,236.177630008,IHQKZXXEUOQSEW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Litophyton,418998.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Litophyton'],['Unknown'],2,0,4.70174765586853
11026,548,-1,,,,0.6754369,ISDB,IHQKZXXEUOQSEW-KCPJHIHWSA-N,"InChI=1S/C15H24O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h6,9,11,16-17H,4-5,7-8,10H2,1-3H3/t11-,14-,15-/m1/s1",C[C@@H]1CCC=C2CCC([C@](C)(O)CO)=C[C@@]21C,C15H24O2,,236.177630008,IHQKZXXEUOQSEW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Lemnalia laevis,4713412.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia laevis'],2,0,4.70174765586853
11027,548,-1,,,,0.6754369,ISDB,IHQKZXXEUOQSEW-UGFHNGPFSA-N,"InChI=1S/C15H24O2/c1-11-5-4-6-12-7-8-13(9-14(11,12)2)15(3,17)10-16/h6,9,11,16-17H,4-5,7-8,10H2,1-3H3/t11-,14+,15+/m1/s1",C[C@@H]1CCC=C2CCC([C@@](C)(O)CO)=C[C@]21C,C15H24O2,,236.177630008,IHQKZXXEUOQSEW,Terpenoids,Sesquiterpenoids,Eremophilane sesquiterpenoids,Lemnalia africana,4713425.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Lemnalia'],['Lemnalia africana'],2,0,4.70174765586853
11028,545,334,Terpenoids,Triterpenoids,Cholestane steroids,0.577883,ISDB,BNXNSHIVHCTBHR-KPTBVRHPSA-N,"InChI=1S/C29H46O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,18,20-23,30H,8-17H2,1-6H3,(H,31,32)/t18-,20+,21+,22-,23+,26+,27-,28-,29+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C29H46O3,,442.3446953319999,BNXNSHIVHCTBHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Lantana indica,6089185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Verbenaceae'],['Lantaneae'],['Lantana'],['Lantana indica'],5,2,8.311532020568848
11029,545,334,Terpenoids,Triterpenoids,Cholestane steroids,0.577883,ISDB,BNXNSHIVHCTBHR-KPTBVRHPSA-N,"InChI=1S/C29H46O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,18,20-23,30H,8-17H2,1-6H3,(H,31,32)/t18-,20+,21+,22-,23+,26+,27-,28-,29+/m1/s1",C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C29H46O3,,442.3446953319999,BNXNSHIVHCTBHR,Terpenoids,Triterpenoids,Oleanane triterpenoids,Cunila lythrifolia,613640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Lamiaceae'],['Mentheae'],['Cunila'],['Cunila lythrifolia'],5,2,8.311532020568848
11030,540,160,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,ORHBXUUXSCNDEV-UHFFFAOYSA-N,"InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H",O=c1ccc2ccc(O)cc2o1,C9H6O3,pos_1_1proton,162.031694052,ORHBXUUXSCNDEV,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
11031,537,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.89706516,ISDB,LOUSOANLLAIPSC-KODLDCGNSA-N,"InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11?,13-,14-,15+,16-,17+,19+,20+/m1/s1",CC1C(=O)O[C@H]2C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@@H](O)[C@@H]12,C20H28O3,,316.203844756,LOUSOANLLAIPSC,Terpenoids,Diterpenoids,,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,2,12.588260650634766
11032,537,813,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,0.89706516,ISDB,LOUSOANLLAIPSC-KODLDCGNSA-N,"InChI=1S/C20H28O3/c1-10-16-14(21)8-13-12(17(16)23-18(10)22)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h4,10-11,13-17,21H,5-9H2,1-3H3/t10?,11?,13-,14-,15+,16-,17+,19+,20+/m1/s1",CC1C(=O)O[C@H]2C3=CC[C@H]4[C@@](C)(CCC5C[C@@]54C)[C@@H]3C[C@@H](O)[C@@H]12,C20H28O3,,316.203844756,LOUSOANLLAIPSC,Terpenoids,Diterpenoids,,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,2,12.588260650634766
11033,536,-1,,,,0.50637424,ISDB,HEFOAGVZRBHVPE-WABXBRDYSA-N,"InChI=1S/C22H32O3/c1-4-21(24)18-16-14-12-10-8-6-7-9-11-13-15-17-19-22(5-2)25-20(3)23/h1-2,16-19,21-22,24H,6-15H2,3H3/b18-16+,19-17+/t21-,22+/m0/s1",C#C[C@H](/C=C/CCCCCCCCCC/C=C/[C@@H](O)C#C)OC(C)=O,C22H32O3,,344.235144884,HEFOAGVZRBHVPE,Fatty acids,Fatty acyls,Fatty alcohols,Callyspongia,1031750.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Haplosclerida'],['Callyspongiidae'],['Unknown'],['Callyspongia'],['Unknown'],2,0,4.025496959686279
11034,532,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.26498157,ISDB,QAPZTOGRKYULRD-UTCJRWHESA-N,"InChI=1S/C15H21NO7/c1-6(3-10-13(19)7(2)15(22)23-10)9-5-16-12(14(20)21)8(9)4-11(17)18/h3,7-10,12-13,16,19H,4-5H2,1-2H3,(H,17,18)(H,20,21)/b6-3-",C/C(=C/C1OC(=O)C(C)C1O)C1CNC(C(=O)O)C1CC(=O)O,C15H21NO7,,327.131802012,QAPZTOGRKYULRD,Alkaloids,Ornithine alkaloids,,Chondria armata,590368.0,['Eukaryota'],['Archaeplastida'],['Rhodophyta'],['Florideophycidae'],['Unknown'],['Unknown'],['Chondrieae'],['Chondria'],['Chondria armata'],1,2,3.0599262714385986
11035,531,826,,,,0.23819588,ISDB,,,,,,,HUJIDEAKQMIQLN,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9527835249900818
11036,530,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5766022,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea alba,1066131.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea alba'],4,1,6.806408882141113
11037,530,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5766022,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea deusta,720460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deusta'],4,1,6.806408882141113
11038,530,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5766022,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,1,6.806408882141113
11039,530,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5766022,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea montana,539760.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea montana'],4,1,6.806408882141113
11040,530,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5766022,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],4,1,6.806408882141113
11041,530,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.5766022,ISDB,RETRRXAPSLSKSS-BYFNFPHLSA-N,"InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-10,18H,2,11-17H2,1H3/b4-3+,6-5+,8-7+,10-9+",CC/C=C/C=C/C=C/C=C/CCCCCCCC=O,C18H28O,,260.214015516,RETRRXAPSLSKSS,Fatty acids,Fatty acyls,Fatty aldehydes,Centaurea cineraria,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],4,1,6.806408882141113
11042,529,1080,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.59882176,ISDB,CJGRGYBLAHPYOM-HOLMNUNMSA-N,"InChI=1S/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2/b7-6+/t10-,12-,13+,14-,15+/m1/s1",O=C(/C=C/c1ccccc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C15H18O7,,310.1052529159999,CJGRGYBLAHPYOM,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Ligustrum vulgare,597434.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Ligustrum'],['Ligustrum vulgare'],5,3,8.895287036895752
11043,527,-1,,,,0.38518533,ISDB,,,,,,,IVRRKLSWFJTNEG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5407413244247437
11044,526,119,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,SEOVTRFCIGRIMH-UHFFFAOYSA-N,"InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)",O=C(O)Cc1c[nH]c2ccccc12,C10H9NO2,pos_1_1proton1ethylamine,175.063328528,SEOVTRFCIGRIMH,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
11045,526,119,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,JTEDVYBZBROSJT-UHFFFAOYSA-N,"InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)",O=C(O)CCCc1c[nH]c2ccccc12,C12H13NO2,pos_1_1proton1ammonium,203.094628656,JTEDVYBZBROSJT,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
11046,524,-1,,,,0.0,MS1_match,LIOOJQZRNLJKMU-HHMSBIESSA-N,"InChI=1S/C15H20O8/c16-5-1-2-8-3-4-10(9(18)6-8)22-15-14(21)13(20)12(19)11(7-17)23-15/h1-4,6,11-21H,5,7H2/b2-1+/t11-,12-,13+,14-,15-/m1/s1",OC/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1,C15H20O8,pos_1_1potassium,328.1158176,LIOOJQZRNLJKMU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],6,0,6.0
11047,524,-1,,,,0.0,MS1_match,VIKKUMIXGIDYKY-UHFFFAOYSA-N,"InChI=1S/C18H16O7/c1-22-10-6-11(19)17-12(20)8-13(25-14(17)7-10)9-4-15(23-2)18(21)16(5-9)24-3/h4-8,19,21H,1-3H3",COc1cc(O)c2c(=O)cc(-c3cc(OC)c(O)c(OC)c3)oc2c1,C18H16O7,pos_1_1sodium,344.0896028519999,VIKKUMIXGIDYKY,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,0,6.0
11048,518,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.6421315,ISDB,ASGOXASWRFTXHV-UHFFFAOYSA-N,"InChI=1S/C12H13NO/c1-2-5-9-8-12(14)10-6-3-4-7-11(10)13-9/h3-4,6-8H,2,5H2,1H3,(H,13,14)",CCCc1cc(=O)c2ccccc2[nH]1,C12H13NO,,187.099714036,ASGOXASWRFTXHV,Alkaloids,Anthranilic acid alkaloids,Acridone alkaloids,Boronia ternata,5233124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Boronia'],['Boronia ternata'],3,1,6.068526029586792
11049,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,0,7.0
11050,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,0,7.0
11051,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,0,7.0
11052,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea elegans,210418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea elegans'],7,0,7.0
11053,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,0,7.0
11054,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
11055,517,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_2MHNH3,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
11056,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,0,7.0
11057,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,0,7.0
11058,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,0,7.0
11059,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,0,7.0
11060,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
11061,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,0,7.0
11062,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,0,7.0
11063,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,0,7.0
11064,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
11065,517,-1,,,,0.0,MS1_match,PHJYCLCTXRJHJZ-SMLCLMEVSA-N,"InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2/t13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CCC(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,PHJYCLCTXRJHJZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,0,7.0
11066,517,-1,,,,0.0,MS1_match,ZQBZOPWDBPOXPR-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)24-17-15-10(4)13(20)7-12(15)9(3)6-14-16(17)11(5)19(22)23-14/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O5,pos_2MHNH3,330.146723804,ZQBZOPWDBPOXPR,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
11067,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,0,7.0
11068,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,0,7.0
11069,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,0,7.0
11070,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,0,7.0
11071,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,0,7.0
11072,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,0,7.0
11073,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-UHFFFAOYSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea linifolia,528737.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea linifolia'],7,0,7.0
11074,517,-1,,,,0.0,MS1_match,ZGDWDAMVZDRRQA-NQLMQOPMSA-N,"InChI=1S/C19H22O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h12-17,20H,1,3-7H2,2H3/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O5,pos_2MHNH3,330.146723804,ZGDWDAMVZDRRQA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,0,7.0
11075,517,-1,,,,0.0,MS1_match,ZYEUWDVPMGDEQL-DIPLVCCSSA-N,"InChI=1S/C18H22O5/c1-11-7-5-4-6-8-14-16(13(3)18(21)22-14)15(9-11)23-17(20)12(2)10-19/h6-8,14-16,19H,2-5,9-10H2,1H3/b8-6-,11-7+/t14-,15+,16+/m1/s1",C=C(CO)C(=O)O[C@H]1C/C(C)=C/CC/C=C\[C@H]2OC(=O)C(=C)[C@H]12,C18H22O5,pos_2MHCH3CN,318.146723804,ZYEUWDVPMGDEQL,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,0,7.0
11076,516,-1,,,,0.0,MS1_match,ZOQCEVXVQCPESC-UHFFFAOYSA-N,"InChI=1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3",CCOC(=O)C=Cc1ccc(O)cc1,C11H12O3,pos_1_1proton1isopropanol,192.078644244,ZOQCEVXVQCPESC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],7,0,7.0
11077,515,1455,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.47827068,ISDB,LXXMSQCFZNGXJH-XCLNPWKQSA-N,"InChI=1S/C20H17NO6/c1-21-15-5-9-4-13-14(25-7-24-13)6-11(9)20(15)18(22)10-2-3-12-17(26-8-23-12)16(10)19(21)27-20/h2-4,6,15,18-19,22H,5,7-8H2,1H3/t15-,18-,19+,20+/m1/s1",CN1[C@H]2O[C@]3(c4cc5c(cc4C[C@@H]13)OCO5)[C@H](O)c1ccc3c(c12)OCO3,C20H17NO6,,367.105587264,LXXMSQCFZNGXJH,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sarcocapnos enneaphylla,188912.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos enneaphylla'],6,3,9.413082718849182
11078,514,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SXYZSPUAXKAFMK-KVBUJQIHSA-N,"InChI=1S/C22H38O13/c1-10(6-7-32-21-18(29)16(27)14(25)12(8-23)33-21)4-3-5-11(2)20(31)35-22-19(30)17(28)15(26)13(9-24)34-22/h5,10,12-19,21-30H,3-4,6-9H2,1-2H3/b11-5+/t10-,12-,13-,14-,15-,16+,17+,18-,19-,21-,22+/m1/s1",C/C(=C\CC[C@@H](C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C22H38O13,pos_1_1proton1ammonium,510.231241276,SXYZSPUAXKAFMK,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,2,7.0
11079,512,-1,,,,0.0,MS1_match,JDXJTMWWGZXTGE-FVSNMVKCSA-N,"InChI=1S/C33H42O9/c1-19-14-15-32(7,8)28(37)17-27(39-22(4)34)20(2)16-26-29(41-31(38)25-12-10-9-11-13-25)21(3)18-33(26,42-24(6)36)30(19)40-23(5)35/h9-16,19,21,26-27,29-30H,17-18H2,1-8H3/b15-14-,20-16-/t19-,21-,26+,27-,29+,30-,33-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C33H42O9,pos_1_1proton1ethylamine,582.2828829239999,JDXJTMWWGZXTGE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11080,512,-1,,,,0.0,MS1_match,NGDYOIKDURHVFB-HSFANBJSSA-N,"InChI=1S/C33H42O9/c1-20-15-16-32(6,7)28(37)18-26(39-22(3)34)13-14-27-30(41-29(38)17-25-11-9-8-10-12-25)21(2)19-33(27,42-24(5)36)31(20)40-23(4)35/h8-16,20-21,26-27,30-31H,17-19H2,1-7H3/b14-13+,16-15+/t20-,21+,26+,27+,30+,31+,33-/m1/s1",CC(=O)O[C@H]1/C=C/[C@H]2[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@H](C)/C=C/C(C)(C)C(=O)C1,C33H42O9,pos_1_1proton1ethylamine,582.282882924,NGDYOIKDURHVFB,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11081,509,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.9732361,ISDB,URTBCBICNCMCPB-XAZJVICWSA-N,"InChI=1S/C17H29NO4/c1-5-6-7-8-9-10-11-12-17(21)22-15(13-16(19)20)14-18(2,3)4/h9-12,15H,5-8,13-14H2,1-4H3/b10-9-,12-11+",CCCCC/C=C\C=C\C(=O)OC(CC(=O)[O-])C[N+](C)(C)C,C17H29NO4,,311.209658408,URTBCBICNCMCPB,Fatty acids,Fatty esters,Fatty acyl carnitines,Paraburkholderia,5902778.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Betaproteobacteria'],['Burkholderiales'],['Burkholderiaceae'],['Unknown'],['Burkholderia'],['Unknown'],0,3,5.3929443359375
11082,508,-1,,,,0.0,MS1_match,OLAOJGSDSXDXSZ-COBHILSHSA-N,"InChI=1S/C38H66O14/c1-17(2)25(51-35-31(30(48-6)24(42)16-50-35)52-34-29(45)28(44)23(41)15-49-34)8-7-18(3)20-14-22(40)32-37(20,5)12-10-26-36(4)11-9-19(39)13-21(36)27(43)33(46)38(26,32)47/h17-35,39-47H,7-16H2,1-6H3/t18-,19+,20-,21-,22+,23-,24-,25+,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38+/m1/s1",CO[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H](CC[C@@H](C)[C@H]2C[C@H](O)[C@@H]3[C@]2(C)CC[C@@H]2[C@@]4(C)CC[C@H](O)C[C@@H]4[C@@H](O)[C@@H](O)[C@]23O)C(C)C)OC[C@H]1O,C38H66O14,pos_1_1proton2acetonitrile,746.445256792,OLAOJGSDSXDXSZ,Terpenoids,Steroids,Cholestane steroids,Printzia polifolia,429567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Printzia'],['Printzia polifolia'],6,0,6.0
11083,508,-1,,,,0.0,MS1_match,WHPWIXNIHILWLU-HUYAEKHSSA-N,"InChI=1S/C38H66O14/c1-17(2)24(50-35-32(30(46)25(15-39)51-35)52-34-31(48-6)29(45)23(43)16-49-34)8-7-18(3)19-13-21(41)33-36(19,4)12-10-26-37(5)11-9-20(40)28(44)27(37)22(42)14-38(26,33)47/h17-35,39-47H,7-16H2,1-6H3/t18-,19-,20+,21-,22+,23-,24+,25+,26-,27+,28+,29+,30+,31-,32-,33-,34+,35-,36-,37-,38+/m1/s1",CO[C@H]1[C@H](O[C@H]2[C@H](O[C@@H](CC[C@@H](C)[C@H]3C[C@@H](O)[C@@H]4[C@]3(C)CC[C@@H]3[C@@]5(C)CC[C@H](O)[C@H](O)[C@@H]5[C@@H](O)C[C@]34O)C(C)C)O[C@@H](CO)[C@@H]2O)OC[C@@H](O)[C@@H]1O,C38H66O14,pos_1_1proton2acetonitrile,746.445256792,WHPWIXNIHILWLU,Terpenoids,Steroids,Cholestane steroids,Printzia polifolia,429567.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Printzia'],['Printzia polifolia'],6,0,6.0
11084,507,-1,,,,0.48301885,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,7.932075381278992
11085,507,-1,,,,0.48301885,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus arvensis,761934.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus arvensis'],6,0,7.932075381278992
11086,507,-1,,,,0.48301885,ISDB,HUSISCNTLUEZCN-DTYSIQRPSA-N,"InChI=1S/C27H46O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)34-19-21(29)20-35-27-26(33)25(32)24(31)22(18-28)36-27/h3-4,6-7,9-10,21-22,24-29,31-33H,2,5,8,11-20H2,1H3/b4-3-,7-6-,10-9-/t21-,22-,24+,25+,26-,27-/m1/s1",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O,C27H46O9,,514.314183052,HUSISCNTLUEZCN,Fatty acids,Glycerolipids,Glycosylmonoacylglycerols,Sonchus mauritanicus,572923.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Sonchus'],['Sonchus mauritanicus'],6,0,7.932075381278992
11087,504,74,Amino acids and Peptides,Small peptides,Aminoacids,0.4484678,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,2,6.793871164321899
11088,504,74,Amino acids and Peptides,Small peptides,Aminoacids,0.4484678,ISDB,MYFMARDICOWMQP-YUMQZZPRSA-N,"InChI=1S/C11H20N2O5/c1-6(2)5-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h6-8H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1",CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O,C11H20N2O5,,260.13722174000003,MYFMARDICOWMQP,Amino acids and Peptides,Small peptides,Dipeptides,Phaseolus vulgaris,825707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Phaseolus'],['Phaseolus vulgaris'],4,2,6.793871164321899
11089,503,9,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.5507275,ISDB,RJZWGDPBGWGJNU-MTXIQXFFSA-N,"InChI=1S/C15H22O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8-9,11,13-14H,4-7H2,1-3H3/b10-8+/t11-,13+,14-/m1/s1",CC1=C2[C@H](/C=C(\C)C=O)CC[C@@H](C)[C@H]2CC1,C15H22O,,218.167065324,RJZWGDPBGWGJNU,Terpenoids,Sesquiterpenoids,Valerenane sesquiterpenoids,Cymbopogon flexuosus,186966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon flexuosus'],6,2,9.20290994644165
11090,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia aleppica,3913040.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia aleppica'],8,3,9.5
11091,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",COc1cc2oc(=O)ccc2cc1O,C10H8O4,pos_1_1proton,192.042258736,SYTYLPHCLSSCOJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia quinquecostata,3912303.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia quinquecostata'],8,3,9.5
11092,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",COc1cc2oc(=O)ccc2cc1O,C10H8O4,pos_1_1proton,192.042258736,SYTYLPHCLSSCOJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
11093,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,3,9.5
11094,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia hirsuta,634791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirsuta'],8,3,9.5
11095,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia lagascae,22595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lagascae'],8,3,9.5
11096,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],8,3,9.5
11097,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],8,3,9.5
11098,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],8,3,9.5
11099,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,3,9.5
11100,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia heteradena,14609.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia heteradena'],8,3,9.5
11101,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia humifusa,1076556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia humifusa'],8,3,9.5
11102,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia bupleuroides,3912649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia bupleuroides'],8,3,9.5
11103,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia plumerioides,1009375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia plumerioides'],8,3,9.5
11104,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia iberica,14613.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia iberica'],8,3,9.5
11105,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],8,3,9.5
11106,502,41,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_1_1proton,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,3,9.5
11107,501,1089,,,,0.49332327,ISDB,,,,,,,FJDVENKXPUIXRG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.9732930660247803
11108,496,-1,,,,0.0,MS1_match,VCEVJQODZQDDCZ-GJNRDOBYSA-N,"InChI=1S/C34H62O13/c1-7-8-9-10-11-12-13-14-15-16-27(38)45-31-30(41-19-22(2)3)28(39)25(17-35)44-33(31)47-34(21-43-24(6)37)32(42-20-23(4)5)29(40)26(18-36)46-34/h22-23,25-26,28-33,35-36,39-40H,7-21H2,1-6H3/t25-,26-,28-,29-,30+,31-,32+,33-,34+/m1/s1",CCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@]2(COC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]2OCC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1OCC(C)C,C34H62O13,pos_1_1potassium,678.4190420439999,VCEVJQODZQDDCZ,,,,Physalis sordida,264849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Physaleae'],['Physalis'],['Physalis sordida'],6,0,6.0
11109,493,-1,,,,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1potassium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
11110,493,-1,,,,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1potassium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
11111,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
11112,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
11113,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
11114,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
11115,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
11116,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
11117,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
11118,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
11119,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
11120,493,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1potassium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
11121,491,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.58665746,ISDB,ZZVZGSYEPXXGHA-UHFFFAOYSA-N,"InChI=1S/C14H14O/c1-9-4-6-12(11(3)15)8-14-10(2)5-7-13(9)14/h4-8H,1-3H3",CC(=O)c1ccc(C)c2ccc(C)c-2c1,C14H14O,,198.104465068,ZZVZGSYEPXXGHA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Artemisia arborescens,436447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia arborescens'],6,3,9.846629858016968
11122,490,869,Fatty acids,Octadecanoids,Phytoprostanes,0.6658059,ISDB,HPKXZPJOBRJOHF-ZHACJKMWSA-N,"InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+",CCC1C(O)CC(=O)C1/C=C/C(O)CCCCCCCC(=O)O,C18H30O5,,326.20932406,HPKXZPJOBRJOHF,Fatty acids,Octadecanoids,Phytoprostanes,Olea europaea,23729.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Oleaceae'],['Oleeae'],['Olea'],['Olea europaea'],1,3,5.163223505020142
11123,490,869,Fatty acids,Octadecanoids,Phytoprostanes,0.6658059,ISDB,HPKXZPJOBRJOHF-ZHACJKMWSA-N,"InChI=1S/C18H30O5/c1-2-14-15(17(21)12-16(14)20)11-10-13(19)8-6-4-3-5-7-9-18(22)23/h10-11,13-16,19-20H,2-9,12H2,1H3,(H,22,23)/b11-10+",CCC1C(O)CC(=O)C1/C=C/C(O)CCCCCCCC(=O)O,C18H30O5,,326.20932406,HPKXZPJOBRJOHF,Fatty acids,Octadecanoids,Phytoprostanes,Vitis vinifera,756728.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Vitales'],['Vitaceae'],['Viteae'],['Vitis'],['Vitis vinifera'],1,3,5.163223505020142
11124,488,554,Alkaloids,,,0.0,MS1_match,GQWWGRUJOCIUKI-UHFFFAOYSA-N,"InChI=1S/C12H17N5O/c1-16-9(4-2-6-15-12(13)14)8-17-7-3-5-10(17)11(16)18/h3,5,7-8H,2,4,6H2,1H3,(H4,13,14,15)",Cn1c(CCCNC(=N)N)cn2cccc2c1=O,C12H17N5O,pos_1_1sodium1acetonitrile,247.143310164,GQWWGRUJOCIUKI,Alkaloids,,,Lolium perenne,135774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Lolium'],['Lolium perenne'],6,1,6.5
11125,487,-1,,,,0.0,MS1_match,FZKCYZNAORCYGO-HEGMYTHOSA-N,"InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22-,28-,29+,30+,31-,32+,35+/m0/s1",CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]12OC(C)=O,C35H46O10,pos_1_1proton1ethylamine,626.309097672,FZKCYZNAORCYGO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11126,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",COc1cc2oc(=O)ccc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,SYTYLPHCLSSCOJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea spruneri,7613439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea spruneri'],7,1,7.5
11127,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea ptosimopappoides,49199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ptosimopappoides'],7,1,7.5
11128,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea superba,561049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea superba'],7,1,7.5
11129,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea cordifolia,7612345.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea cordifolia'],7,1,7.5
11130,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,1,7.5
11131,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,1,7.5
11132,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Jurinea albicaulis,741651.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea albicaulis'],7,1,7.5
11133,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",COc1cc2oc(=O)ccc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,SYTYLPHCLSSCOJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea parviflora,40100.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea parviflora'],7,1,7.5
11134,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,1,7.5
11135,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,1,7.5
11136,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea gossypiphora,745641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea gossipiphora'],7,1,7.5
11137,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",COc1cc2oc(=O)ccc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,SYTYLPHCLSSCOJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Saussurea macrota,733905.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella auriculata'],7,1,7.5
11138,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea affinis,361276.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea affinis'],7,1,7.5
11139,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea maculosa,306343.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea maculosa'],7,1,7.5
11140,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,SYTYLPHCLSSCOJ-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3",COc1cc2oc(=O)ccc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,SYTYLPHCLSSCOJ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Carduus tenuiflorus,655353.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Carduus'],['Carduus tenuiflorus'],7,1,7.5
11141,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,1,7.5
11142,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea amanicola,3894338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea amanicola'],7,1,7.5
11143,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea pseudomaculosa,3894033.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudomaculosa'],7,1,7.5
11144,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea cyanus,18501.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cyanus'],7,1,7.5
11145,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea phrygia,888052.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea phrygia'],7,1,7.5
11146,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Psephellus integrifolius,7613623.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus integrifolius'],7,1,7.5
11147,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,1,7.5
11148,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea jacea,242075.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea jacea'],7,1,7.5
11149,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Cirsium rhinoceros,7052078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cirsium'],['Cirsium rhinoceros'],7,1,7.5
11150,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Synurus excelsus,7612661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Synurus'],['Synurus excelsus'],7,1,7.5
11151,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea spruneri,7613439.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea spruneri'],7,1,7.5
11152,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Centaurea pseudoscabiosa,1042631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pseudoscabiosa'],7,1,7.5
11153,480,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.0,MS1_match,RODXRVNMMDRFIK-UHFFFAOYSA-N,"InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3",COc1cc2ccc(=O)oc2cc1O,C10H8O4,pos_2_2proton2acetonitrile,192.042258736,RODXRVNMMDRFIK,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Atractylodes macrocephala,361559.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Atractylodes'],['Atractylodes macrocephala'],7,1,7.5
11154,479,-1,,,,0.0,MS1_match,WMOJOCZNFPTCBX-DIOGFFNBSA-N,"InChI=1S/C24H40O11/c1-11-7-13(26)8-24(3,4)14(11)6-5-12(2)33-23-21(31)19(29)18(28)16(35-23)10-32-22-20(30)17(27)15(9-25)34-22/h7,12,14-23,25,27-31H,5-6,8-10H2,1-4H3/t12-,14-,15+,16+,17+,18+,19-,20-,21+,22-,23+/m0/s1",CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O,C24H40O11,pos_1_1sodium,504.2570621,WMOJOCZNFPTCBX,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11155,477,429,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,0.0,MS1_match,APJYDQYYACXCRM-UHFFFAOYSA-N,"InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2",NCCc1c[nH]c2ccccc12,C10H12N2,pos_1_1proton,160.100048384,APJYDQYYACXCRM,Alkaloids,Tryptophan alkaloids,Simple indole alkaloids,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,3,8.5
11156,474,-1,,,,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chrozophora brocchiana,3911320.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora brocchiana'],6,0,6.0
11157,474,-1,,,,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chrozophora rottleri,3911321.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora rottleri'],6,0,6.0
11158,474,-1,,,,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chrozophora plicata,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],6,0,6.0
11159,474,-1,,,,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chrozophora obliqua,3911324.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora plicata'],6,0,6.0
11160,474,-1,,,,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chrozophora tinctoria,312821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora tinctoria'],6,0,6.0
11161,474,-1,,,,0.0,MS1_match,DANYIYRPLHHOCZ-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3",COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1,C16H12O5,pos_1_1proton,284.068473484,DANYIYRPLHHOCZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Chrozophora verbascifolia,312821.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Chrozophoreae'],['Chrozophora'],['Chrozophora tinctoria'],6,0,6.0
11162,474,-1,,,,0.0,MS1_match,UUNPIWCQMVNINR-UHFFFAOYSA-N,"InChI=1S/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2H3",COc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O,C16H12O5,pos_1_1proton,284.068473484,UUNPIWCQMVNINR,Polyketides,Polycyclic aromatic polyketides,Anthraquinones and anthrones,Trewia nudiflora,375532.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus nudiflorus'],6,0,6.0
11163,469,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,SSQQBMVHIQQAQB-WIOPSUGQSA-N,"InChI=1S/C25H30O6/c1-14(2)5-4-6-15(3)7-8-16-9-17(10-21(28)24(16)30)25-22(29)13-19-20(27)11-18(26)12-23(19)31-25/h5,7,9-12,22,25-30H,4,6,8,13H2,1-3H3/t22-,25+/m0/s1",CC(C)=CCCC(C)=CCc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc(O)c1O,C25H30O6,pos_1_minus1proton1iron,426.20423868,SSQQBMVHIQQAQB,Shikimates and Phenylpropanoids,Flavonoids,Flavan-3-ols,Macaranga alnifolia,864424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga alnifolia'],6,0,6.0
11164,468,608,Fatty acids,Fatty Acids and Conjugates,Other Octadecanoids,0.6195317,ISDB,ITTPZDMHCNGAGQ-UHFFFAOYSA-N,"InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)",O=C(O)CCCCCCCC1OC1CCCCCCCCO,C18H34O4,,314.24570956799994,ITTPZDMHCNGAGQ,Fatty acids,Octadecanoids,Other Octadecanoids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],5,3,8.978126764297485
11165,467,-1,,,,0.39951205,ISDB,OMYRBCZBTQDJHF-RFYAXJIXSA-N,"InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H31NO2,,293.235479232,OMYRBCZBTQDJHF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum bungeanum,889918.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum bungeanum'],1,0,2.598048210144043
11166,467,-1,,,,0.39951205,ISDB,OMYRBCZBTQDJHF-RFYAXJIXSA-N,"InChI=1S/C18H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(2,3)21/h8-9,12-15,21H,4-7,10-11,16H2,1-3H3,(H,19,20)/b9-8-,13-12+,15-14+",CCCCC/C=C\CC/C=C/C=C/C(=O)NCC(C)(C)O,C18H31NO2,,293.235479232,OMYRBCZBTQDJHF,Fatty acids,Fatty amides,N-acyl amines,Zanthoxylum schinifolium,237365.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Rutaceae'],['Unknown'],['Zanthoxylum'],['Zanthoxylum schinifolium'],1,0,2.598048210144043
11167,465,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.7816294,ISDB,ZCCLDKGWJIREQF-PDBXOOCHSA-N,"InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-",CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO,C21H36O4,,352.261359632,ZCCLDKGWJIREQF,Fatty acids,Glycerolipids,Monoacylglycerols,Halimodendron halodendron,761641.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Caraganeae'],['Halimodendron'],['Halimodendron halodendron'],1,1,4.6265175342559814
11168,464,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PXDSTCJSNLPGRN-CONHBHADSA-N,"InChI=1S/C26H38O5/c1-13(2)16(5)23(29)31-25-11-15(4)26(30)19-8-14(3)21(28)18(19)9-17(12-27)10-20(26)22(25)24(25,6)7/h8,10,13,15-16,18-20,22,27,30H,9,11-12H2,1-7H3/t15-,16-,18+,19-,20+,22-,25+,26+/m1/s1",CC1=C[C@@H]2[C@H](CC(CO)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)[C@H](C)C(C)C)C[C@@H](C)[C@]23O)C1=O,C26H38O5,pos_1_minus1proton1iron,430.271924316,PXDSTCJSNLPGRN,Terpenoids,Diterpenoids,Tigliane diterpenoids,Euphorbia pithyusa,506510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia pithyusa'],7,1,7.5
11169,462,-1,,,,0.7836653,ISDB,OYKAXBUWOIRLGF-VMBRNALUSA-N,"InChI=1S/C18H28O3/c1-2-3-4-5-7-10-13-16-21-17-14-11-8-6-9-12-15-18(19)20/h3-4,7,10,13-14,16-17H,2,5-6,8-9,11-12,15H2,1H3,(H,19,20)/b4-3-,10-7-,16-13+,17-14+",CC/C=C\C/C=C\C=C\O/C=C/CCCCCCC(=O)O,C18H28O3,,292.203844756,OYKAXBUWOIRLGF,Fatty acids,Fatty acyls,Fatty ethers,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,12.134661197662354
11170,460,74,Amino acids and Peptides,Small peptides,Aminoacids,0.86109847,ISDB,NFDYGNFETJVMSE-BQBZGAKWSA-N,"InChI=1S/C9H18N2O4/c1-5(2)3-7(9(14)15)11-8(13)6(10)4-12/h5-7,12H,3-4,10H2,1-2H3,(H,11,13)(H,14,15)/t6-,7-/m0/s1",CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)O,C9H18N2O4,,218.126657056,NFDYGNFETJVMSE,Amino acids and Peptides,Small peptides,Dipeptides,Aeromonas veronii,704628.0,['Bacteria'],['Unknown'],['Proteobacteria'],['Gammaproteobacteria'],['Aeromonadales'],['Aeromonadaceae'],['Unknown'],['Aeromonas'],['Aeromonas veronii'],0,2,4.444393873214722
11171,459,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.36945686,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],4,2,6.477827429771423
11172,459,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.36945686,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],4,2,6.477827429771423
11173,458,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,PBBVWJQPAZYQDB-DBFWEQBMSA-N,"InChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1",O=C(O)[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,C27H26O18,pos_2_2proton2acetonitrile,638.111913992,PBBVWJQPAZYQDB,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],7,1,7.5
11174,458,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lophatherum gracile,138139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Zeugiteae'],['Lophatherum'],['Lophatherum gracile'],6,3,7.5
11175,458,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,XWRHBGVVCOSNKO-OPGYGNEESA-N,"InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14?,16?/m1/s1",O=C(/C=C/c1ccc(O)cc1)OC1[C@H](O)CC(O)(C(=O)O)C[C@H]1O,C16H18O8,pos_1_1sodium,338.1001675359999,XWRHBGVVCOSNKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Lophatherum gracile,138139.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Zeugiteae'],['Lophatherum'],['Lophatherum gracile'],6,3,7.5
11176,456,15,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.58923876,ISDB,YZBZORUZOSCZRN-YWHLHSFDSA-N,"InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14?/t16-/m0/s1",CC/C=C\C[C@@H]1OC1=C/C=C\CCCCCCCC(=O)O,C18H28O3,,292.203844756,YZBZORUZOSCZRN,Fatty acids,Octadecanoids,Other Octadecanoids,Apis cerana,625771.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Insecta'],['Hymenoptera'],['Apidae'],['Apini'],['Apis'],['Apis cerana'],2,1,4.856955051422119
11177,453,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
11178,453,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,WOGBNISMMIOPAZ-UHFFFAOYSA-N,"InChI=1S/C18H26O10/c19-10-7-26-17(15(23)12(10)20)27-8-11-13(21)14(22)16(24)18(28-11)25-6-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2",OC1COC(OCC2OC(OCc3ccccc3)C(O)C(O)C2O)C(O)C1O,C18H26O10,pos_1_1proton1ethylamine,402.152597032,WOGBNISMMIOPAZ,,,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
11179,453,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
11180,453,46,Terpenoids,Diterpenoids,Ingenane diterpenoids,0.0,MS1_match,ONUWJUACWORIMJ-NWQIESHVSA-N,"InChI=1S/C18H26O10/c19-6-11-13(22)14(23)16(28-17-15(24)12(21)10(20)8-26-17)18(27-11)25-7-9-4-2-1-3-5-9/h1-5,10-24H,6-8H2/t10-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1",OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,C18H26O10,pos_1_1proton1ethylamine,402.1525970319999,ONUWJUACWORIMJ,,,,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
11181,449,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,XMHIUKTWLZUKEX-UHFFFAOYSA-N,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C26H52O2,pos_2_2proton2acetonitrile,396.3967309039999,XMHIUKTWLZUKEX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,2,7.0
11182,449,21,Fatty acids,Fatty Acids and Conjugates,Piperidine alkaloids,0.0,MS1_match,XMHIUKTWLZUKEX-UHFFFAOYSA-N,"InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)",CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O,C26H52O2,pos_2_2proton2acetonitrile,396.3967309039999,XMHIUKTWLZUKEX,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Malvaviscus arboreus,108599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malvaviscus'],['Malvaviscus arboreus'],6,2,7.0
11183,448,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
11184,448,-1,,,,0.0,MS1_match,XMPGMPGSZRUCAL-UHFFFAOYSA-N,"InChI=1S/C31H40O10/c1-9-15(2)28(36)41-26-16(3)12-30-17(4)10-23-24(29(23,8)14-39-19(6)33)22(25(30)35)11-21(13-38-18(5)32)27(31(26,30)37)40-20(7)34/h9,11-12,17,22-24,26-27,37H,10,13-14H2,1-8H3",CC=C(C)C(=O)OC1C(C)=CC23C(=O)C(C=C(COC(C)=O)C(OC(C)=O)C12O)C1C(CC3C)C1(C)COC(C)=O,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,XMPGMPGSZRUCAL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
11185,448,-1,,,,0.0,MS1_match,RCIQJDCADVYGLY-MFHFMUCMSA-N,"InChI=1S/C31H40O10/c1-16-13-14-30(6,7)28(36)23(34)26(40-20(5)33)18(3)25(39-19(4)32)22-24(17(2)15-31(22,38)27(16)35)41-29(37)21-11-9-8-10-12-21/h8-14,16-17,22-27,34-35,38H,3,15H2,1-2,4-7H3/b14-13+/t16-,17+,22-,23-,24+,25+,26+,27-,31-/m1/s1",C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](O)[C@H](C)/C=C/C(C)(C)C(=O)[C@H](O)[C@H]1OC(C)=O,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,RCIQJDCADVYGLY,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
11186,448,-1,,,,0.0,MS1_match,UXXCYRXOIGPLCA-PNURPOIQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)25(40-21(4)34)16-19(2)27(41-22(5)35)26-28(42-31(39)24-12-10-9-11-13-24)20(3)17-33(26,29(18)37)43-23(6)36/h9-15,18,20,25-28H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,26-,27-,28-,33+/m0/s1",C=C1C[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H40O10,pos_1_1proton1ammonium,596.26214748,UXXCYRXOIGPLCA,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
11187,448,-1,,,,0.0,MS1_match,YCHJWRVSZGGWFE-MQFNCDSZSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-14,16,20,25-28H,15,17H2,1-8H3/b18-14-,19-16+/t20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)C/C=C(/C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1proton1ammonium,596.26214748,YCHJWRVSZGGWFE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11188,448,-1,,,,0.0,MS1_match,KTYYUKJLUJGKMG-JFGBKWHQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-16,18,20,25-28H,17H2,1-8H3/b15-14+,19-16+/t18-,20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1proton1ammonium,596.26214748,KTYYUKJLUJGKMG,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11189,448,-1,,,,0.0,MS1_match,AZYFFNZMEAGTQA-HWQDMKBVSA-N,"InChI=1S/C33H40O10/c1-17-12-13-23-14-32(16-41-19(3)34)28(38)25-27(40-15-22-10-8-7-9-11-22)18(2)29(42-20(4)35)33(25,39)30(43-21(5)36)31(32,6)24(23)26(17)37/h7-13,18,25,27-30,37-39H,14-16H2,1-6H3/t18-,25-,27+,28-,29-,30-,31-,32-,33+/m1/s1",CC(=O)OC[C@@]12Cc3ccc(C)c(O)c3[C@]1(C)[C@@H](OC(C)=O)[C@]1(O)[C@H]([C@@H](OCc3ccccc3)[C@@H](C)[C@H]1OC(C)=O)[C@H]2O,C33H40O10,pos_1_1proton1ammonium,596.26214748,AZYFFNZMEAGTQA,Terpenoids,,,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
11190,448,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
11191,448,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
11192,448,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
11193,448,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
11194,448,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
11195,448,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
11196,448,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
11197,448,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
11198,448,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
11199,448,-1,,,,0.0,MS1_match,XMPGMPGSZRUCAL-NKUQUXSJSA-N,"InChI=1S/C31H40O10/c1-9-15(2)28(36)41-26-16(3)12-30-17(4)10-23-24(29(23,8)14-39-19(6)33)22(25(30)35)11-21(13-38-18(5)32)27(31(26,30)37)40-20(7)34/h9,11-12,17,22-24,26-27,37H,10,13-14H2,1-8H3/b15-9-/t17-,22+,23-,24+,26+,27-,29-,30+,31-/m1/s1",C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](OC(C)=O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)[C@@]1(C)COC(C)=O,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,XMPGMPGSZRUCAL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
11200,448,-1,,,,0.0,MS1_match,QDVFBKSBZKWYFT-GRMMTJMMSA-N,"InChI=1S/C31H40O10/c1-15-14-31-22(23(15)39-28(36)19-11-9-8-10-12-19)27-30(7,41-27)21(38-18(4)33)13-20(37-17(3)32)29(5,6)26(35)24(40-31)16(2)25(31)34/h8-12,15-16,20-24,26-27,35H,13-14H2,1-7H3/t15-,16-,20+,21+,22+,23-,24+,26-,27+,30+,31+/m0/s1",CC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)O[C@@H]2[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]23O[C@H]([C@H](C)C3=O)[C@H](O)C1(C)C,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,QDVFBKSBZKWYFT,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11201,447,-1,,,,0.0,MS1_match,HVGMINHJTDNOLV-ZTJBHOJDSA-N,"InChI=1S/C28H32O15/c1-10-19(32)22(35)24(37)27(39-10)43-26-23(36)20(33)17(9-29)42-28(26)41-16-8-15-18(21(34)25(16)38-2)13(31)7-14(40-15)11-3-5-12(30)6-4-11/h3-8,10,17,19-20,22-24,26-30,32-37H,9H2,1-2H3/t10-,17+,19-,20+,22+,23-,24+,26+,27-,28+/m0/s1",COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2oc(-c3ccc(O)cc3)cc(=O)c2c1O,C28H32O15,pos_1_1potassium,608.174120324,HVGMINHJTDNOLV,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Nanorrhinum asparagoides,7053888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Nanorrhinum'],['Nanorrhinum asparagoides'],6,0,6.0
11202,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon whippleanus,23649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon whippleanus'],6,0,6.0
11203,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon watsonii,435795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon watsonii'],6,0,6.0
11204,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon aridus,573078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon aridus'],6,0,6.0
11205,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon albertinus,34994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albertinus'],6,0,6.0
11206,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon confusus,453798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon confusus'],6,0,6.0
11207,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon crandallii,1082417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon crandallii'],6,0,6.0
11208,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon cyananthus,1082415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon cyananthus'],6,0,6.0
11209,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon fremontii,505861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon fremontii'],6,0,6.0
11210,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon kingii,3883375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon kingii'],6,0,6.0
11211,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
11212,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon leonardii,981389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon leonardii'],6,0,6.0
11213,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon neomexicanus,981396.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon neomexicanus'],6,0,6.0
11214,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon perpulcher,930980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon perpulcher'],6,0,6.0
11215,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon pruinosus,421335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon pruinosus'],6,0,6.0
11216,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon pumilus,3883367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon pumilus'],6,0,6.0
11217,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon radicosus,930972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon radicosus'],6,0,6.0
11218,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon rydbergii,673713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon rydbergii'],6,0,6.0
11219,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon subglaber,673699.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon subglaber'],6,0,6.0
11220,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon heterodoxus,455466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon heterodoxus'],6,0,6.0
11221,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon humilis,455468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon humilis'],6,0,6.0
11222,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon montanus,325586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon montanus'],6,0,6.0
11223,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon venustus,471858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon venustus'],6,0,6.0
11224,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon glaber,573055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon glaber'],6,0,6.0
11225,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,0,6.0
11226,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon thompsoniae,896184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon thompsoniae'],6,0,6.0
11227,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon spectabilis,673707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon spectabilis'],6,0,6.0
11228,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon speciosus,332656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon speciosus'],6,0,6.0
11229,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon purpusii,3883340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon purpusii'],6,0,6.0
11230,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon pachyphyllus,241195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon pachyphyllus'],6,0,6.0
11231,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon laetus,455464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon laetus'],6,0,6.0
11232,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon incertus,542299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon incertus'],6,0,6.0
11233,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon heterophyllus,851269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon heterophyllus'],6,0,6.0
11234,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon cyaneus,1082413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon cyaneus'],6,0,6.0
11235,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon dolius,1082409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon dolius'],6,0,6.0
11236,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon cinicola,3883347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon cinicola'],6,0,6.0
11237,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon californicus,555880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon californicus'],6,0,6.0
11238,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon anguineus,34998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon anguineus'],6,0,6.0
11239,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon attenuatus,323780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon attenuatus'],6,0,6.0
11240,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon angustifolius,555866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon angustifolius'],6,0,6.0
11241,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon globosus,1031789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon globosus'],6,0,6.0
11242,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon linarioides,998381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon linarioides'],6,0,6.0
11243,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon fendleri,505849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon fendleri'],6,0,6.0
11244,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon dasyphyllus,1021072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon dasyphyllus'],6,0,6.0
11245,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon stenophyllus,3883363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon stenophyllus'],6,0,6.0
11246,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
11247,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon strictus,1048398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon strictus'],6,0,6.0
11248,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon thompsoniae,896184.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon thompsoniae'],6,0,6.0
11249,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon spectabilis,673707.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon spectabilis'],6,0,6.0
11250,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon albertinus,34994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon albertinus'],6,0,6.0
11251,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon confusus,453798.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon confusus'],6,0,6.0
11252,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon crandallii,1082417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon crandallii'],6,0,6.0
11253,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon cyananthus,1082415.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon cyananthus'],6,0,6.0
11254,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon fremontii,505861.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon fremontii'],6,0,6.0
11255,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon kingii,3883375.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon kingii'],6,0,6.0
11256,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon leonardii,981389.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon leonardii'],6,0,6.0
11257,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon montanus,325586.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon montanus'],6,0,6.0
11258,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon neomexicanus,981396.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon neomexicanus'],6,0,6.0
11259,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon aridus,573078.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon aridus'],6,0,6.0
11260,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon perpulcher,930980.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon perpulcher'],6,0,6.0
11261,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon pumilus,3883367.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon pumilus'],6,0,6.0
11262,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon radicosus,930972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon radicosus'],6,0,6.0
11263,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon rydbergii,673713.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon rydbergii'],6,0,6.0
11264,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon subglaber,673699.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon subglaber'],6,0,6.0
11265,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon heterodoxus,455466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon heterodoxus'],6,0,6.0
11266,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon humilis,455468.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon humilis'],6,0,6.0
11267,447,-1,,,,0.0,MS1_match,CHRDJRUJPDDTRH-KUQPPIBHSA-N,"InChI=1S/C28H32O15/c1-10-26(43-28-24(36)22(34)20(32)17(9-29)42-28)23(35)25(37)27(39-10)41-16-8-15-18(21(33)19(16)31)13(30)7-14(40-15)11-3-5-12(38-2)6-4-11/h3-8,10,17,20,22-29,31-37H,9H2,1-2H3/t10-,17+,20+,22-,23-,24+,25+,26-,27+,28-/m0/s1",COc1ccc(-c2cc(=O)c3c(O)c(O)c(O[C@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H]4O)cc3o2)cc1,C28H32O15,pos_1_1potassium,608.174120324,CHRDJRUJPDDTRH,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Linaria aeruginea,471662.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria aeruginea'],6,0,6.0
11268,447,-1,,,,0.0,MS1_match,GZSOSUNBTXMUFQ-YFAPSIMESA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C28H32O15,pos_1_1potassium,608.1741203239999,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Linaria macroura,6072569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria macroura'],6,0,6.0
11269,447,-1,,,,0.0,MS1_match,GZSOSUNBTXMUFQ-YFAPSIMESA-N,"InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1",COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1O,C28H32O15,pos_1_1potassium,608.1741203239999,GZSOSUNBTXMUFQ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Linaria macroura,6072569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria macroura'],6,0,6.0
11270,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon pruinosus,421335.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon pruinosus'],6,0,6.0
11271,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon watsonii,435795.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon watsonii'],6,0,6.0
11272,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon whippleanus,23649.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon whippleanus'],6,0,6.0
11273,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon procerus,421339.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon procerus'],6,0,6.0
11274,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon speciosus,332656.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon speciosus'],6,0,6.0
11275,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon purpusii,3883340.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon purpusii'],6,0,6.0
11276,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon pachyphyllus,241195.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon pachyphyllus'],6,0,6.0
11277,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon laetus,455464.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon laetus'],6,0,6.0
11278,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon incertus,542299.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon incertus'],6,0,6.0
11279,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon heterophyllus,851269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon heterophyllus'],6,0,6.0
11280,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon cyaneus,1082413.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon cyaneus'],6,0,6.0
11281,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon cinicola,3883347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon cinicola'],6,0,6.0
11282,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
11283,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon californicus,555880.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon californicus'],6,0,6.0
11284,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon anguineus,34998.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon anguineus'],6,0,6.0
11285,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon attenuatus,323780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon attenuatus'],6,0,6.0
11286,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon angustifolius,555866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon angustifolius'],6,0,6.0
11287,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon globosus,1031789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon globosus'],6,0,6.0
11288,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon linarioides,998381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon linarioides'],6,0,6.0
11289,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon fendleri,505849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon fendleri'],6,0,6.0
11290,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon dasyphyllus,1021072.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon dasyphyllus'],6,0,6.0
11291,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon stenophyllus,3883363.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon stenophyllus'],6,0,6.0
11292,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,0,6.0
11293,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon dolius,1082409.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon dolius'],6,0,6.0
11294,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon glaber,573055.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon glaber'],6,0,6.0
11295,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon strictus,1048398.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon strictus'],6,0,6.0
11296,447,-1,,,,0.0,MS1_match,XCTGXGVGJYACEI-LCENJUANSA-O,"InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1",OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C27H31O17+,pos_2MCa,627.1555759520899,XCTGXGVGJYACEI,Shikimates and Phenylpropanoids,Flavonoids,Anthocyanidins,Penstemon venustus,471858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon venustus'],6,0,6.0
11297,445,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.53315485,ISDB,OGYHCBGORZWBPH-UHFFFAOYSA-N,"InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3",C[S+]([O-])CCCCCCCN=C=S,C9H17NOS2,,219.075156164,OGYHCBGORZWBPH,,,,Eutrema japonicum,185264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema japonicum'],3,0,5.132619380950928
11298,445,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.53315485,ISDB,OGYHCBGORZWBPH-UHFFFAOYSA-N,"InChI=1S/C9H17NOS2/c1-13(11)8-6-4-2-3-5-7-10-9-12/h2-8H2,1H3",C[S+]([O-])CCCCCCCN=C=S,C9H17NOS2,,219.075156164,OGYHCBGORZWBPH,,,,Sabia japonica,8373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Sabiaceae'],['Unknown'],['Sabia'],['Sabia japonica'],3,0,5.132619380950928
11299,438,50,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2086672,ISDB,DHYUJQKWCJOPLE-GSZDTLHVSA-N,"InChI=1S/C27H49N5O8/c1-4-5-6-7-8-9-10-11-19(34)13-24(38)31-20(14-22(28)36)26(39)32-25(21(35)15-23(29)37)27(40)30-18(16-33)12-17(2)3/h16-21,25,34-35H,4-15H2,1-3H3,(H2,28,36)(H2,29,37)(H,30,40)(H,31,38)(H,32,39)/t18?,19-,20+,21-,25+/m1/s1",CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NC(C=O)CC(C)C)[C@H](O)CC(N)=O,C27H49N5O8,,571.358113528,DHYUJQKWCJOPLE,Amino acids and Peptides,Oligopeptides,Lipopeptides,Penicillium dierckxii,424442.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dierckxii'],0,0,0.8346688151359558
11300,438,50,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.2086672,ISDB,DHYUJQKWCJOPLE-GSZDTLHVSA-N,"InChI=1S/C27H49N5O8/c1-4-5-6-7-8-9-10-11-19(34)13-24(38)31-20(14-22(28)36)26(39)32-25(21(35)15-23(29)37)27(40)30-18(16-33)12-17(2)3/h16-21,25,34-35H,4-15H2,1-3H3,(H2,28,36)(H2,29,37)(H,30,40)(H,31,38)(H,32,39)/t18?,19-,20+,21-,25+/m1/s1",CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NC(C=O)CC(C)C)[C@H](O)CC(N)=O,C27H49N5O8,,571.358113528,DHYUJQKWCJOPLE,Amino acids and Peptides,Oligopeptides,Lipopeptides,Penicillium fellutanum,424442.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Penicillium dierckxii'],0,0,0.8346688151359558
11301,436,27,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.7215808,ISDB,,,,,,,MDHKPPLDWWFLSM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.8863232135772705
11302,435,-1,,,,0.0,MS1_match,GZTXEEPKLNRIEL-QNDFHXLGSA-N,"InChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/t16-,18-,19+,20-,21-/m1/s1",O=C(C=Cc1ccc(O)c(O)c1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O,C21H22O11,pos_1_1proton1ammonium,450.116211524,GZTXEEPKLNRIEL,Shikimates and Phenylpropanoids,Flavonoids,Chalcones,Antirrhinum majus,596457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Antirrhinum'],['Antirrhinum majus'],6,0,6.0
11303,435,-1,,,,0.0,MS1_match,HBHVCPGEAYWNOG-DIKDMFKNSA-N,"InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19?,20+,21-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)c3c(O)cc(O)cc3OC2c2cc(O)cc(O)c2)[C@H](O)[C@H](O)[C@H]1O,C21H22O11,pos_1_1proton1ammonium,450.1162115239998,HBHVCPGEAYWNOG,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Plantago depressa,1004414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago depressa'],6,0,6.0
11304,435,-1,,,,0.0,MS1_match,HBHVCPGEAYWNOG-DIKDMFKNSA-N,"InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-11(24)6-13(14)31-19(20)8-2-9(22)4-10(23)3-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19?,20+,21-/m0/s1",C[C@@H]1O[C@@H](O[C@@H]2C(=O)c3c(O)cc(O)cc3OC2c2cc(O)cc(O)c2)[C@H](O)[C@H](O)[C@H]1O,C21H22O11,pos_1_1proton1ammonium,450.1162115239998,HBHVCPGEAYWNOG,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Plantago depressa,1004414.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago depressa'],6,0,6.0
11305,434,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.72712433,ISDB,NLDDIKRKFXEWBK-AWEZNQCLSA-N,"InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1",CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1,C17H26O4,,294.183109312,NLDDIKRKFXEWBK,,,,Homo sapiens,770315.0,['Eukaryota'],['Metazoa'],['Chordata'],['Mammalia'],['Primates'],['Hominidae'],['Unknown'],['Homo'],['Homo sapiens'],2,0,4.908497333526611
11306,431,87,Shikimates and Phenylpropanoids,Lignans,Cinnamic acids and derivatives,0.0,MS1_match,AJMQKDTUOKAQNT-SDVFQCAASA-N,"InChI=1S/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1O,C23H28O8,pos_1_1proton1ammonium,432.1784178559999,AJMQKDTUOKAQNT,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,2,7.0
11307,431,87,Shikimates and Phenylpropanoids,Lignans,Cinnamic acids and derivatives,0.0,MS1_match,AJMQKDTUOKAQNT-SDVFQCAASA-N,"InChI=1S/C23H28O8/c1-25-16-6-12(7-17(26-2)20(16)24)21-14-10-31-22(15(14)11-30-21)13-8-18(27-3)23(29-5)19(9-13)28-4/h6-9,14-15,21-22,24H,10-11H2,1-5H3/t14-,15-,21+,22+/m1/s1",COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1O,C23H28O8,pos_1_1proton1ammonium,432.1784178559999,AJMQKDTUOKAQNT,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,2,7.0
11308,431,87,Shikimates and Phenylpropanoids,Lignans,Cinnamic acids and derivatives,0.0,MS1_match,FKECPAHWABPMES-CSODHUTKSA-N,"InChI=1S/C23H28O8/c1-23(2)30-16-10-12-9-15(28-5)20(25)22(29-6)18(12)17(21(16)31-23)11-7-13(26-3)19(24)14(8-11)27-4/h7-9,16-17,21,24-25H,10H2,1-6H3/t16-,17+,21+/m0/s1",COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H]3OC(C)(C)O[C@@H]23)cc(OC)c1O,C23H28O8,pos_1_1proton1ammonium,432.178417856,FKECPAHWABPMES,Shikimates and Phenylpropanoids,Lignans,Arylnaphthalene and aryltetralin lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,2,7.0
11309,430,908,,,,0.7339175,ISDB,SUVMJBTUFCVSAD-UHFFFAOYSA-N,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3",C[S+]([O-])CCCCN=C=S,C6H11NOS2,,177.028205972,SUVMJBTUFCVSAD,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,0,5.935669898986816
11310,430,908,,,,0.7339175,ISDB,SUVMJBTUFCVSAD-JTQLQIEISA-N,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1",C[S@+]([O-])CCCCN=C=S,C6H11NOS2,,177.028205972,SUVMJBTUFCVSAD,,,,Raphanus sativus,359073.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Raphanus'],['Raphanus sativus'],3,0,5.935669898986816
11311,430,908,,,,0.7339175,ISDB,SUVMJBTUFCVSAD-UHFFFAOYSA-N,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3",C[S+]([O-])CCCCN=C=S,C6H11NOS2,,177.028205972,SUVMJBTUFCVSAD,,,,Brassica oleracea,833642.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],3,0,5.935669898986816
11312,430,908,,,,0.7339175,ISDB,SUVMJBTUFCVSAD-UHFFFAOYSA-N,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3",C[S+]([O-])CCCCN=C=S,C6H11NOS2,,177.028205972,SUVMJBTUFCVSAD,,,,Brassica,309288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Unknown'],3,0,5.935669898986816
11313,430,908,,,,0.7339175,ISDB,SUVMJBTUFCVSAD-UHFFFAOYSA-N,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3",C[S+]([O-])CCCCN=C=S,C6H11NOS2,,177.028205972,SUVMJBTUFCVSAD,,,,Brassica oleracea var. sabauda,526294.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica oleracea'],3,0,5.935669898986816
11314,430,908,,,,0.7339175,ISDB,SUVMJBTUFCVSAD-JTQLQIEISA-N,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1",C[S@+]([O-])CCCCN=C=S,C6H11NOS2,,177.028205972,SUVMJBTUFCVSAD,,,,Capsella bursa-pastoris,833644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Capsella'],['Capsella bursa-pastoris'],3,0,5.935669898986816
11315,430,908,,,,0.7339175,ISDB,SUVMJBTUFCVSAD-JTQLQIEISA-N,"InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1",C[S@+]([O-])CCCCN=C=S,C6H11NOS2,,177.028205972,SUVMJBTUFCVSAD,,,,Lepidium draba,209750.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Lepidieae'],['Lepidium'],['Lepidium draba'],3,0,5.935669898986816
11316,426,-1,,,,0.8212419,ISDB,OSULXBNEGGTCCA-XXGPQQRCSA-N,"InChI=1S/C20H26O2/c1-11-14-8-12-4-5-17-19(2,7-6-13-10-20(13,17)3)15(12)9-16(14)22-18(11)21/h8,13,15-17H,4-7,9-10H2,1-3H3/t13-,15-,16-,17+,19+,20+/m1/s1",CC1=C2C=C3CC[C@@H]4[C@@]5(C)C[C@H]5CC[C@@]4(C)[C@@H]3C[C@H]2OC1=O,C20H26O2,,298.193280072,OSULXBNEGGTCCA,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Suregada glomerulata,1082259.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Gelonieae'],['Suregada'],['Suregada glomerulata'],6,0,9.28496766090393
11317,423,536,Terpenoids,Apocarotenoids,Megastigmanes,0.47409394,ISDB,XTODSGVDHGMKSN-SIEIHWOKSA-N,"InChI=1S/C19H30O8/c1-10(21)5-6-13-18(2,3)7-11(22)8-19(13,4)27-17-16(25)15(24)14(23)12(9-20)26-17/h5,11-12,14-17,20,22-25H,7-9H2,1-4H3/t6?,11-,12+,14+,15-,16+,17-,19+/m0/s1",CC(=O)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C19H30O8,,386.19406791999984,XTODSGVDHGMKSN,Terpenoids,Apocarotenoids,Megastigmanes,Solanum quitoense,835548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum quitoense'],8,3,11.39637577533722
11318,421,1009,Amino acids and Peptides,Small peptides,Dipeptides,0.7900342,ISDB,XWYXUMDVQIOAPR-UWVGGRQHSA-N,"InChI=1S/C12H22N2O2/c1-7(2)5-9-11(15)14-10(6-8(3)4)12(16)13-9/h7-10H,5-6H2,1-4H3,(H,13,16)(H,14,15)/t9-,10-/m0/s1",CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)NC1=O,C12H22N2O2,,226.168127944,XWYXUMDVQIOAPR,Amino acids and Peptides,Small peptides,Dipeptides,Kandelia candel,973786.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Rhizophoraceae'],['Unknown'],['Kandelia'],['Kandelia candel'],1,3,5.660136699676514
11319,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
11320,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,3,8.5
11321,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scabiosa,856425.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scabiosa'],7,3,8.5
11322,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
11323,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-RTHOXKBDSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14?/m0/s1",C=C1[C@@H]2C3OC(=O)C(=C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
11324,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
11325,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
11326,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,3,8.5
11327,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
11328,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,3,8.5
11329,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
11330,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
11331,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
11332,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
11333,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,3,8.5
11334,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
11335,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-UHFFFAOYSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2",C=C1CC(O)C2C(=C)C(=O)OC2C2C(=C)C(O)CC12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11336,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
11337,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MACDPZHXSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11-,12+,13-,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)CC(=C)[C@H]1CC(=O)[C@H](C)[C@@H]21,C15H18O4,pos_1_1proton,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
11338,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-GYRMMRJHSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9?,11+,12?,13?,14-/m1/s1",C=C1C[C@H](O)C2C(=C)C(=O)O[C@@H]2C2C1CC(=O)[C@H]2C,C15H18O4,pos_1_1proton,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
11339,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,3,8.5
11340,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YGMIBVIKXJJQQJ-MSOSQAFRSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]21,C15H18O4,pos_1_1proton,262.120509056,YGMIBVIKXJJQQJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,3,8.5
11341,420,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,VPRPYNVJJXOFKZ-SNIKSBKOSA-N,"InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h9-14,16-17H,1-5H2/t9-,10-,11-,12-,13+,14+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C15H18O4,pos_1_1proton,262.120509056,VPRPYNVJJXOFKZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
11342,419,-1,,,,0.74159956,ISDB,ZOJBSSVHFSBHMP-JJJSWPRASA-N,"InChI=1S/C30H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h9-10,12-13,15-16,18-19,29,32H,5-8,11,14,17,20-28H2,1-4H3/b10-9-,13-12-,16-15-,19-18-/t29-/m1/s1",CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C,C30H54NO7P,,571.363789698,ZOJBSSVHFSBHMP,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Trypanosoma brucei,494245.0,['Eukaryota'],['Unknown'],['Unknown'],['Unknown'],['Kinetoplastea'],['Unknown'],['Unknown'],['Trypanosoma'],['Trypanosoma brucei'],0,0,2.966398239135742
11343,417,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XCXWMHRRISFUFF-HPJHKSEOSA-N,"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19+,30+,32-,33+,34+,35+,40-,43?,44+,45?,46+,47?/m0/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@@H]1C5(CC(=O)C(O)(O[C@]56C(=O)O[C@@H]5[C@@H](O)COC56O)[C@]1(O)O4)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1,C47H34O32,pos_1_1proton1ammonium,1110.103318928,XCXWMHRRISFUFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
11344,417,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,XCXWMHRRISFUFF-HPJHKSEOSA-N,"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)77-40-33-32-30(19(72-40)8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(38(63)73-32)4-16(51)26(57)29(22)60)75-41(65)43-6-20(54)45(67,79-44(43)42(66)76-35-18(53)7-71-47(35,44)69)46(68)34(43)23-12(39(64)74-33)5-17(52)27(58)31(23)78-46/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19+,30+,32-,33+,34+,35+,40-,43?,44+,45?,46+,47?/m0/s1",O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]3[C@H]1OC(=O)c1cc(O)c(O)c4c1[C@@H]1C5(CC(=O)C(O)(O[C@]56C(=O)O[C@@H]5[C@@H](O)COC56O)[C@]1(O)O4)C(=O)O[C@@H]32)c1cc(O)c(O)c(O)c1,C47H34O32,pos_1_1proton1ammonium,1110.103318928,XCXWMHRRISFUFF,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
11345,417,1116,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,0.0,MS1_match,SBTSFGGKABBACZ-PZLIJGQGSA-N,"InChI=1S/C47H34O32/c48-13-1-9(2-14(49)24(13)55)36(61)73-32-30-19-8-70-37(62)10-3-15(50)25(56)28(59)21(10)22-11(4-16(51)26(57)29(22)60)39(64)77-40(72-19)33(32)74-38(63)12-5-17(52)27(58)31-23(12)34-43(41(65)75-30)6-20(54)45(67,46(34,68)78-31)79-44(43)42(66)76-35-18(53)7-71-47(35,44)69/h1-5,18-19,30,32-35,40,48-53,55-60,67-69H,6-8H2/t18-,19+,30+,32-,33+,34+,35+,40-,43+,44+,45-,46+,47-/m0/s1",O=C(O[C@@H]1[C@H]2OC(=O)c3cc(O)c(O)c4c3[C@@H]3[C@]5(CC(=O)[C@](O)(O[C@]56C(=O)O[C@@H]5[C@@H](O)CO[C@@]56O)[C@]3(O)O4)C(=O)O[C@@H]1[C@H]1COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@H]2O1)c1cc(O)c(O)c(O)c1,C47H34O32,pos_1_1proton1ammonium,1110.103318928,SBTSFGGKABBACZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
11346,416,-1,,,,0.0,MS1_match,FZKCYZNAORCYGO-HEGMYTHOSA-N,"InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15+,21-17+/t20-,22-,28-,29+,30+,31-,32+,35+/m0/s1",CC(=O)O[C@@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]12OC(C)=O,C35H46O10,pos_1_1sodium,626.309097672,FZKCYZNAORCYGO,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11347,412,-1,,,,0.8724923,ISDB,BCLYZTYBUNEZFV-MCCGJVOXSA-N,"InChI=1S/C14H20O3/c1-12(2)5-8-6-13(8,3)10-9(7-12)14(4,16)17-11(10)15/h8,16H,5-7H2,1-4H3/t8-,13+,14+/m0/s1",CC1(C)CC2=C(C(=O)O[C@@]2(C)O)[C@]2(C)C[C@@H]2C1,C14H20O3,,236.1412445,BCLYZTYBUNEZFV,Terpenoids,Sesquiterpenoids,Africanane sesquiterpenoids,Porella swartziana,250779.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Jungermanniopsida'],['Porellales'],['Porellaceae'],['Unknown'],['Porella'],['Porella swartziana'],1,0,4.489969253540039
11348,411,810,Terpenoids,Apocarotenoids,Apocarotenoids (β-),0.35900232,ISDB,XEVQXKKKAVVSMW-WRWORJQWSA-N,"InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1",CC1(C)C[C@H](O)C[C@@]2(C)OC(=O)C=C12,C11H16O3,,196.109944372,XEVQXKKKAVVSMW,Terpenoids,Apocarotenoids,Apocarotenoids (β-),Lolium perenne,135774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Lolium'],['Lolium perenne'],5,3,7.9360092878341675
11349,410,-1,,,,0.60368234,ISDB,,,,,,,ZCOMDMLFHXSIDE,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.414729356765747
11350,406,294,Amino acids and Peptides,Amino acid glycosides,Cyanogenic glycosides,0.0,MS1_match,CUZKLRTTYZOCSD-CIUDSAMLSA-N,"InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)/t7-,8-,9-/m0/s1",O=C(O)[C@H](CCN1CC[C@H]1C(=O)O)NCC[C@H](O)C(=O)O,C12H20N2O7,pos_1_1proton,304.12705098,CUZKLRTTYZOCSD,Amino acids and Peptides,Small peptides,Aminoacids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
11351,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_minus1proton2sodium,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,3,7.5
11352,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_minus1proton2sodium,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,3,7.5
11353,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_minus1proton2sodium,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,3,7.5
11354,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,NTNQTAISNHFKRA-CKYFFXLPSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-3,9-10,12,15-19H,4H2,(H,20,21)/t9-,10-,12-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1,C14H14O9,pos_1_minus1proton2sodium,326.06378202799993,NTNQTAISNHFKRA,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Mallotus japonicus,706097.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Mallotus'],['Mallotus japonicus'],6,3,7.5
11355,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CFCRCJAHPCJZLP-FOGDFJRCSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h2-4,9-10,12,15-19H,1H2,(H,20,21)/t9-,10-,12+/m1/s1",O=C(O)C1=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)C1,C14H14O9,pos_1_minus1proton2sodium,326.06378202799993,CFCRCJAHPCJZLP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,3,7.5
11356,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CFCRCJAHPCJZLP-GRZMOONWSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h2-4,9-10,12,15-19H,1H2,(H,20,21)/t9-,10?,12?/m1/s1",O=C(O)C1=CC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)[C@H](O)C1,C14H14O9,pos_1_minus1proton2sodium,326.063782028,CFCRCJAHPCJZLP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Macaranga tanarius,573156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga tanarius'],6,3,7.5
11357,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CFCRCJAHPCJZLP-FOGDFJRCSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h2-4,9-10,12,15-19H,1H2,(H,20,21)/t9-,10-,12+/m1/s1",O=C(O)C1=C[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)C1,C14H14O9,pos_1_minus1proton2sodium,326.06378202799993,CFCRCJAHPCJZLP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Excoecaria kawakamii,3911650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Hippomaneae'],['Excoecaria'],['Excoecaria kawakamii'],6,3,7.5
11358,399,279,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,CFCRCJAHPCJZLP-GRZMOONWSA-N,"InChI=1S/C14H14O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h2-4,9-10,12,15-19H,1H2,(H,20,21)/t9-,10?,12?/m1/s1",O=C(O)C1=CC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)[C@H](O)C1,C14H14O9,pos_1_minus1proton2sodium,326.063782028,CFCRCJAHPCJZLP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Macaranga tanarius,573156.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Acalypheae'],['Macaranga'],['Macaranga tanarius'],6,3,7.5
11359,398,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ethylamine,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
11360,398,-1,,,,0.0,MS1_match,RJWJHRPNHPHBRN-FKVJWERZSA-N,"InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1",OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C15H22O9,pos_1_1proton1ethylamine,346.126382284,RJWJHRPNHPHBRN,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,0,9.0
11361,397,-1,,,,0.7268791,ISDB,YOXWSUCVDVXAMX-UHFFFAOYSA-N,"InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)41-13-5-9(30)4-12-16(13)19(35)25(24(40-12)8-1-2-10(31)11(32)3-8)44-27-23(39)21(37)18(34)15(7-29)43-27/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2",O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OC3OC(CO)C(O)C(O)C3O)c12,C27H30O17,,626.1482995,YOXWSUCVDVXAMX,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,9.907516479492188
11362,396,-1,,,,0.65355426,ISDB,,,,,,,RJZVWDTYEWCUAR,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.6142170429229736
11363,394,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.82601017,ISDB,VWBWQPAZMNABMR-MGUDENHHSA-N,"InChI=1S/C21H22O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-26,28-29H,7H2/t13-,15-,17+,18-,19+,20+,21+/m1/s1",O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C21H22O11,,450.116211524,VWBWQPAZMNABMR,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Phyllanthus tenellus,411869.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Phyllanthaceae'],['Phyllantheae'],['Phyllanthus'],['Phyllanthus tenellus'],5,2,9.304040670394897
11364,393,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.4058801,ISDB,,,,,,,QTSYLHMNCMQLOC,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.6235203742980957
11365,390,313,Carbohydrates,Saccharides,Disaccharides,0.31653982,ISDB,SHZGCJCMOBCMKK-JFNONXLTSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1",C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Plantago maritima,236705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago maritima'],6,3,8.766159296035767
11366,389,-1,,,,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
11367,389,-1,,,,0.0,MS1_match,JSKCJJNYSGWZDU-RQJSCMEKSA-N,"InChI=1S/C16H22O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4,6,8-13,15-21H,1-3H2,(H,22,23)/t6-,8+,9-,10-,11-,12+,13-,15+,16+/m1/s1",C=C1[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2C[C@@H]1O,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,JSKCJJNYSGWZDU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica longifolia,79014.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica longifolia'],8,0,8.0
11368,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
11369,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
11370,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
11371,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
11372,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
11373,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica kellereri,91023.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica kellereri'],8,0,8.0
11374,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica americana,1094827.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica americana'],8,0,8.0
11375,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-UHFFFAOYSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CCC12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis,185515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis'],8,0,8.0
11376,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-OGJQONSISA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.1212969039999,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica anagallis-aquatica,484336.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica anagallis-aquatica'],8,0,8.0
11377,389,-1,,,,0.0,MS1_match,ZJDOESGVOWAULF-RGHCVXNGSA-N,"InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13+,15+,16-/m1/s1",O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@H]12,C16H22O10,pos_1_1proton1ammonium,374.121296904,ZJDOESGVOWAULF,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Veronica bellidioides,653019.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica bellidioides'],8,0,8.0
11378,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,0,6.0
11379,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3",CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hibiscus,83402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Unknown'],6,0,6.0
11380,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,0,6.0
11381,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,0,6.0
11382,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hibiscus cannabinus,393745.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus cannabinus'],6,0,6.0
11383,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-UHFFFAOYSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3",CC1OC(Oc2cc(O)c3c(=O)c(OC4OC(C)C(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Hibiscus,83402.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Unknown'],6,0,6.0
11384,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia mandshurica,790022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia mandshurica'],6,0,6.0
11385,383,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,PUPKKEQDLNREIM-QNSQPKOQSA-N,"InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1",C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@H](O)[C@H]1O,C27H30O14,pos_2_2proton2acetonitrile,578.1635556399999,PUPKKEQDLNREIM,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Tilia tomentosa,495951.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia tomentosa'],6,0,6.0
11386,380,-1,,,,0.67240405,ISDB,VVLXCWVSSLFQDS-QWRGUYRKSA-N,"InChI=1S/C14H18N2O6/c15-10(13(19)20)5-6-12(18)16-11(14(21)22)7-8-1-3-9(17)4-2-8/h1-4,10-11,17H,5-7,15H2,(H,16,18)(H,19,20)(H,21,22)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)O,C14H18N2O6,,310.11648629599995,VVLXCWVSSLFQDS,Amino acids and Peptides,Small peptides,Dipeptides,Psophocarpus tetragonolobus,116244.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Psophocarpus'],['Psophocarpus tetragonolobus'],4,0,6.6896162033081055
11387,379,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8154754,ISDB,OERWDJCNWLSHGW-RIEGTJTDSA-N,"InChI=1S/C15H18O2/c1-14(2)10-3-4-11(8-16)15(7-10)12(9-17)5-6-13(14)15/h4-5,8-10,13H,3,6-7H2,1-2H3/t10-,13+,15-/m1/s1",CC1(C)[C@@H]2CC=C(C=O)[C@]3(C2)C(C=O)=CC[C@@H]13,C15H18O2,,230.130679816,OERWDJCNWLSHGW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Hedlundia hybrida,3903493.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Rosales'],['Rosaceae'],['Maleae'],['Sorbus'],['Sorbus hybrida'],4,0,7.261901617050171
11388,379,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8154754,ISDB,OERWDJCNWLSHGW-RIEGTJTDSA-N,"InChI=1S/C15H18O2/c1-14(2)10-3-4-11(8-16)15(7-10)12(9-17)5-6-13(14)15/h4-5,8-10,13H,3,6-7H2,1-2H3/t10-,13+,15-/m1/s1",CC1(C)[C@@H]2CC=C(C=O)[C@]3(C2)C(C=O)=CC[C@@H]13,C15H18O2,,230.130679816,OERWDJCNWLSHGW,Terpenoids,Sesquiterpenoids,Cedrane and Isocedrane sesquiterpenoids,Moscharia pinnatifida,518347.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Nassauvieae'],['Moscharia'],['Moscharia pinnatifida'],4,0,7.261901617050171
11389,371,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.6355125,ISDB,KSEBMYQBYZTDHS-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1cc(C=CC(=O)O)ccc1O,C10H10O4,,194.0579088,KSEBMYQBYZTDHS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,13.042049884796143
11390,370,-1,,,,0.0,MS1_match,KAZMSBSNWWWNPL-QEKTYAEASA-N,"InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C19H34O8,pos_1_1sodium,390.22536804799984,KAZMSBSNWWWNPL,Terpenoids,Apocarotenoids,Megastigmanes,Croton cascarilloides,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,0,6.0
11391,370,-1,,,,0.0,MS1_match,KAZMSBSNWWWNPL-QEKTYAEASA-N,"InChI=1S/C19H34O8/c1-10-7-12(8-18(3,4)19(10,25)6-5-11(2)21)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-17,20-25H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13-,14-,15+,16-,17-,19-/m1/s1",C[C@@H]1C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)O,C19H34O8,pos_1_1sodium,390.22536804799984,KAZMSBSNWWWNPL,Terpenoids,Apocarotenoids,Megastigmanes,Croton cascarilloides,426172.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Crotoneae'],['Croton'],['Croton cascarilloides'],6,0,6.0
11392,369,657,Terpenoids,Triterpenoids,Triacylglycerols,0.29275185,ISDB,NFDXIIWZWRCGCU-UQRHXPJDSA-N,"InChI=1S/C33H54O5/c1-21(2)24-13-19-32(8)28(30(24,6)17-16-29(35)37-10)12-11-25-26(14-18-31(25,32)7)33(9,36)20-15-27(22(3)4)38-23(5)34/h24-28,36H,1,3,11-20H2,2,4-10H3/t24-,25+,26-,27-,28-,30-,31+,32+,33-/m0/s1",C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)OC(C)=O,C33H54O5,,530.397124828,NFDXIIWZWRCGCU,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Alnus japonica,639105.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fagales'],['Betulaceae'],['Unknown'],['Alnus'],['Alnus japonica'],4,2,6.171007394790649
11393,363,503,Terpenoids,Steroids,Ergostane steroids,0.43399456,ISDB,RDBOKLTXJDYSFQ-ABMOCFRJSA-N,"InChI=1S/C27H40/c1-18(2)9-8-10-19(3)25-13-14-26-24-17-21-11-6-7-12-22(21)20(4)23(24)15-16-27(25,26)5/h6,11,17-19,25-26H,7-10,12-16H2,1-5H3/t19-,25-,26+,27-/m1/s1",Cc1c2c(cc3c1CC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]31)C=CCC2,C27H40,,364.31300128,RDBOKLTXJDYSFQ,Terpenoids,Steroids,Ergostane steroids,Ixodes ricinus,493144.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Arachnida'],['Ixodida'],['Ixodidae'],['Unknown'],['Ixodes'],['Ixodes ricinus'],2,3,5.2359782457351685
11394,362,504,Terpenoids,Diterpenoids,Tetraketide meroterpenoids,0.42285195,ISDB,OXTAPHAXPXBFQM-RFMSQVAGSA-N,"InChI=1S/C26H38O8/c1-14-23(5)13-16-22(4,11-10-17(27)28)15(21(2,3)32)9-12-24(16,6)26(14,20(31)34-8)19(30)25(7,33)18(23)29/h15-16,32-33H,1,9-13H2,2-8H3,(H,27,28)/t15-,16+,22-,23-,24+,25+,26+/m1/s1",C=C1[C@@]2(C)C[C@H]3[C@](C)(CCC(=O)O)[C@@H](C(C)(C)O)CC[C@]3(C)[C@]1(C(=O)OC)C(=O)[C@@](C)(O)C2=O,C26H38O8,,478.256668176,OXTAPHAXPXBFQM,Polyketides,Meroterpenoids,Tetraketide meroterpenoids,Penicillium,199764.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Penicillium'],['Unknown'],1,3,4.191407799720764
11395,361,-1,,,,0.0,MS1_match,VZQXUWKZDSEQRR-SDBHATRESA-N,"InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1",CSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,C16H23N5O4S,pos_1_1sodium1acetonitrile,381.1470752159999,VZQXUWKZDSEQRR,Alkaloids,Pseudoalkaloids,Purine alkaloids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
11396,361,-1,,,,0.0,MS1_match,VZQXUWKZDSEQRR-SDBHATRESA-N,"InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1",CSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,C16H23N5O4S,pos_1_1sodium1acetonitrile,381.1470752159999,VZQXUWKZDSEQRR,Alkaloids,Pseudoalkaloids,Purine alkaloids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
11397,358,336,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,HYZRWYQBGNTGTK-UHFFFAOYSA-N,"InChI=1S/C13H14O5/c1-16-11-4-7(2-3-10(11)14)12-8-5-18-13(15)9(8)6-17-12/h2-4,8-9,12,14H,5-6H2,1H3",COc1cc(C2OCC3C(=O)OCC32)ccc1O,C13H14O5,pos_1_1proton1ethylamine,250.084123548,HYZRWYQBGNTGTK,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Isatis quadrialata,490446.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Isatideae'],['Isatis'],['Isatis quadrialata'],6,1,6.5
11398,357,-1,,,,0.0,MS1_match,BRVXVMOWTHQKHC-HIAHFQITSA-N,"InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(40-23(5)35)17-27(39-22(4)34)20(2)16-26-29(42-31(37)25-12-10-9-11-13-25)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14-,20-16+",CC(=O)OC1CC(OC(C)=O)C(C)(C)/C=C\C(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2/C=C/1C,C33H44O9,pos_1_1proton1ethylamine,584.2985329879998,BRVXVMOWTHQKHC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11399,357,-1,,,,0.0,MS1_match,SRIOEYUPZINFMH-IUNSSGNUSA-N,"InChI=1S/C33H44O9/c1-18-13-33(38)25(26(18)39-16-22-11-9-8-10-12-22)28(41-20(3)35)32(17-40-19(2)34)14-23-24(15-30(5,6)27(23)37)31(32,7)29(33)42-21(4)36/h8-12,18,23-26,28-29,38H,13-17H2,1-7H3/t18-,23+,24+,25+,26-,28+,29+,31+,32+,33+/m0/s1",CC(=O)OC[C@@]12C[C@H]3C(=O)C(C)(C)C[C@H]3[C@]1(C)[C@@H](OC(C)=O)[C@@]1(O)C[C@H](C)[C@H](OCc3ccccc3)[C@@H]1[C@H]2OC(C)=O,C33H44O9,pos_1_1proton1ethylamine,584.298532988,SRIOEYUPZINFMH,Terpenoids,Diterpenoids,Paraliane diterpenoids,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
11400,355,528,Terpenoids,Steroids,Ergostane steroids,0.30725297,ISDB,LKDRSTSIYBRIGG-XJSYTOADSA-N,"InChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,15,17-19,21-24H,9-14,16H2,1-6H3/b8-7+/t18-,19+,21-,22+,23-,24-,27+,28+/m0/s1",CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,C28H42O2,,410.318480584,LKDRSTSIYBRIGG,Terpenoids,Steroids,Cholestane steroids,Phyllidiella pustulosa,578610.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Phyllidiidae'],['Unknown'],['Phyllidiella'],['Phyllidiella pustulosa'],4,2,6.2290118932724
11401,351,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
11402,351,48,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1proton1ammonium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
11403,350,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
11404,350,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,HDTRYLNUVZCQOY-WSWWMNSNSA-N,"InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11-,12-/m1/s1",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,C12H22O11,pos_1_1proton1ammonium,342.116211524,HDTRYLNUVZCQOY,Carbohydrates,Saccharides,Disaccharides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,3,10.5
11405,348,-1,,,,0.44406545,ISDB,YQZPQSWEHQDLFL-ZACQAIPSSA-N,"InChI=1S/C18H37NO4/c1-2-3-4-9-12-15(20)13-10-7-5-6-8-11-14-16(21)17(19)18(22)23/h15-17,20-21H,2-14,19H2,1H3,(H,22,23)/t15-,16-,17+/m1/s1",CCCCCC[C@@H](O)CCCCCCCC[C@@H](O)[C@H](N)C(=O)O,C18H37NO4,,331.272258664,YQZPQSWEHQDLFL,Fatty acids,Fatty Acids and Conjugates,,Simplicillium minatense,411367.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Hypocreales'],['Cordycipitaceae'],['Unknown'],['Simplicillium'],['Simplicillium minatense'],1,0,2.776261806488037
11406,347,74,Amino acids and Peptides,Small peptides,Aminoacids,0.573696,ISDB,BQBCIBCLXBKYHW-CSMHCCOUSA-N,"InChI=1S/C10H20N2O4/c1-5(2)4-7(10(15)16)12-9(14)8(11)6(3)13/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6-,7+,8+/m1/s1",CC(C)C[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O,C10H20N2O4,,232.14230712,BQBCIBCLXBKYHW,Amino acids and Peptides,Small peptides,Dipeptides,Valsa sordida,382306.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Sordariomycetes'],['Diaporthales'],['Valsaceae'],['Unknown'],['Valsa'],['Valsa sordida'],1,2,4.294784069061279
11407,346,-1,,,,0.79341805,ISDB,UYXJESJBZRIFPL-UHFFFAOYSA-N,"InChI=1S/C15H14O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-8H,1-3H3",Cc1ccc2c(C)cc3occ(C)c3c2c1,C15H14O,,210.104465068,UYXJESJBZRIFPL,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Chromolaena laevigata,5739721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Chromolaena'],['Chromolaena laevigata'],6,0,9.173672199249268
11408,345,601,Terpenoids,Steroids,Cholestane steroids,0.26459897,ISDB,ZGCGMYXRXTYHNJ-RVHZRYLBSA-N,"InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-21(16-29)25-15-20(30)11-13-28(25,6)24(26)12-14-27(22,23)5/h16-17,19-20,22-24,26,30H,3,7-15H2,1-2,4-6H3/t19-,20+,22-,23+,24+,26+,27-,28-/m1/s1",C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(C=O)=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,C28H44O2,,412.334130648,ZGCGMYXRXTYHNJ,Terpenoids,Steroids,Ergostane steroids,Svenzea zeai,1080172.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Bubarida'],['Dictyonellidae'],['Unknown'],['Svenzea'],['Svenzea zeai'],2,2,4.058395862579346
11409,344,-1,,,,0.0,MS1_match,LKQSVMUDBNFDIC-XCNGFFQBSA-N,"InChI=1S/C28H33ClO7/c1-13-14(2)28(36-23(13)34)22(33)16(12-30)18-8-7-17-15-10-21(32)26(29)9-5-6-20(31)25(26,4)19(15)11-27(28,35)24(17,18)3/h5-6,15,17,19,21,30,32,35H,7-12H2,1-4H3/t15-,17-,19-,21+,24-,25-,26-,27+,28-/m0/s1",CC1=C(C)[C@]2(OC1=O)C(=O)C(CO)=C1CC[C@H]3[C@@H]4C[C@@H](O)[C@@]5(Cl)CC=CC(=O)[C@]5(C)[C@H]4C[C@@]2(O)[C@]13C,C28H33ClO7,pos_2MMg,516.1914810759998,LKQSVMUDBNFDIC,Terpenoids,Steroids,Ergostane steroids,Jaborosa runcinata,5745719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Jaboroseae'],['Jaborosa'],['Jaborosa runcinata'],6,0,6.0
11410,343,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JPJFFXBKQYGGMF-OPRPSYRCSA-N,"InChI=1S/C32H50O3/c1-19-10-13-29(6)16-17-31(8)22(26(29)20(19)2)18-23(34)27-30(7)14-12-25(35-21(3)33)28(4,5)24(30)11-15-32(27,31)9/h18-20,24-27H,10-17H2,1-9H3/t19-,20+,24+,25+,26+,27-,29-,30+,31-,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O3,pos_1_minus1proton1iron,482.37599546,JPJFFXBKQYGGMF,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Taraxacum platycarpum,793946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum platycarpum'],6,2,7.0
11411,343,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,SOINDUWJQBFDIH-BJFAYYBWSA-N,"InChI=1S/C32H50O3/c1-20(33)35-25-11-12-30(7)24(28(25,4)5)10-13-32(9)26(30)23(34)18-21-22-19-27(2,3)14-15-29(22,6)16-17-31(21,32)8/h18,22,24-26H,10-17,19H2,1-9H3/t22-,24-,25-,26+,29+,30-,31+,32+/m0/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O3,pos_1_minus1proton1iron,482.37599546,SOINDUWJQBFDIH,Terpenoids,Triterpenoids,Oleanane triterpenoids,Taraxacum platycarpum,793946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cichorieae'],['Taraxacum'],['Taraxacum platycarpum'],6,2,7.0
11412,343,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,CXBKIDKNBGHPIU-RQDVQWIDSA-N,"InChI=1S/C32H50O3/c1-20-22(19-33)11-14-29(5)17-18-31(7)23(27(20)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h11,19-20,23-27H,9-10,12-18H2,1-8H3/t20-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1",CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C)C(C=O)=CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C,C32H50O3,pos_1_minus1proton1iron,482.37599546,CXBKIDKNBGHPIU,Terpenoids,Triterpenoids,Ursane and Taraxastane triterpenoids,Liatris acidota,509205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Liatris'],['Liatris acidota'],6,2,7.0
11413,343,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MQJJEAVTBHQMMI-KXKNIRNXSA-N,"InChI=1S/C32H50O3/c1-20(2)25(34)12-10-21(3)23-14-18-31(8)24(23)11-13-27-30(7)17-16-28(35-22(4)33)29(5,6)26(30)15-19-32(27,31)9/h23-24,26-28H,1,3,10-19H2,2,4-9H3/t23-,24-,26+,27-,28+,30+,31-,32-/m1/s1",C=C(C)C(=O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C,C32H50O3,pos_1_minus1proton1iron,482.37599546,MQJJEAVTBHQMMI,Terpenoids,Triterpenoids,Dammarane and Protostane triterpenoids,Microglossa pyrifolia,6056085.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Microglossa'],['Microglossa pyrifolia'],6,2,7.0
11414,343,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,NLEUJEPQHSWETP-AKUYYDLTSA-N,"InChI=1S/C32H50O3/c1-19(2)21-10-13-29(6)16-17-32(9)27(26(21)29)22(34)18-24-30(7)14-12-25(35-20(3)33)28(4,5)23(30)11-15-31(24,32)8/h21,23-27H,1,10-18H2,2-9H3/t21-,23-,24+,25-,26+,27+,29+,30-,31+,32+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H50O3,pos_1_minus1proton1iron,482.37599546,NLEUJEPQHSWETP,Terpenoids,Triterpenoids,Lupane triterpenoids,Mikania guaco,803878.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Mikania'],['Mikania guaco'],6,2,7.0
11415,343,372,Terpenoids,Triterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,NLEUJEPQHSWETP-AKUYYDLTSA-N,"InChI=1S/C32H50O3/c1-19(2)21-10-13-29(6)16-17-32(9)27(26(21)29)22(34)18-24-30(7)14-12-25(35-20(3)33)28(4,5)23(30)11-15-31(24,32)8/h21,23-27H,1,10-18H2,2-9H3/t21-,23-,24+,25-,26+,27+,29+,30-,31+,32+/m0/s1",C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12,C32H50O3,pos_1_minus1proton1iron,482.37599546,NLEUJEPQHSWETP,Terpenoids,Triterpenoids,Lupane triterpenoids,Stevia amambayensis,7604338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Stevia'],['Stevia amambayensis'],6,2,7.0
11416,336,-1,,,,0.0,MS1_match,LAITWLZASKJXLZ-QQBNPUAHSA-N,"InChI=1S/C33H36O16/c1-43-21-6-14(4-5-17(21)36)28(39)25(12-34)48-32-23(44-2)7-15(8-24(32)45-3)20-11-19(38)27-18(37)9-16(10-22(27)47-20)46-33-31(42)30(41)29(40)26(13-35)49-33/h4-11,25-26,28-31,33-37,39-42H,12-13H2,1-3H3/t25-,26+,28+,29+,30-,31+,33+/m0/s1",COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4o3)cc2OC)ccc1O,C33H36O16,pos_1_1proton,688.2003350720001,LAITWLZASKJXLZ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Hyparrhenia hirta,931573.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Hyparrhenia'],['Hyparrhenia hirta'],6,0,6.0
11417,334,-1,,,,0.0,MS1_match,IVMLONFHZYZDNZ-UHFFFAOYSA-N,"InChI=1S/C27H36O/c1-23(2)13-9-16-26(5)18-11-20-27(6)19-10-17-24(3)14-7-8-15-25(4)21-12-22-28/h7-8,10-15,17-22H,9,16H2,1-6H3",CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O,C27H36O,pos_1_1proton1ammonium,376.276615772,IVMLONFHZYZDNZ,Terpenoids,Apocarotenoids,Apocarotenoids (Ψ-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
11418,332,10,Alkaloids,Ornithine alkaloids,Dipeptides,0.69502324,ISDB,,,,,,,HUEOABWGBTXQNF,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.78009295463562
11419,330,-1,,,,0.0,MS1_match,ILTHPPRTQUWWGU-NXUBFONISA-N,"InChI=1S/C21H22O10/c22-8-17-19(27)20(28)21(9-23,31-17)30-12-5-13(25)18-14(26)7-15(29-16(18)6-12)10-1-3-11(24)4-2-10/h1-6,15,17,19-20,22-25,27-28H,7-9H2/t15-,17+,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1sodium,434.121296904,ILTHPPRTQUWWGU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],8,0,8.0
11420,329,-1,,,,0.0,MS1_match,CGTBKKCAKWNILX-WDBUIPMMSA-N,"InChI=1S/C16H26O8/c1-6-5-22-15(11-7(2)9(18)3-8(6)11)24-16-14(21)13(20)12(19)10(4-17)23-16/h5,7-21H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12-,13+,14-,15+,16+/m1/s1",CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@H]12,C16H26O8,pos_1_1proton1ammonium,346.162767792,CGTBKKCAKWNILX,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Linaria japonica,3883393.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Linaria'],['Linaria japonica'],6,0,6.0
11421,329,-1,,,,0.0,MS1_match,QZIOPOIUZGGXKI-KOYXEPTDSA-N,"InChI=1S/C16H26O8/c1-9(6-7-17)4-3-5-10(2)15(22)24-16-14(21)13(20)12(19)11(8-18)23-16/h5-6,11-14,16-21H,3-4,7-8H2,1-2H3/b9-6+,10-5+/t11-,12-,13+,14-,16+/m1/s1",C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H26O8,pos_1_1proton1ammonium,346.1627677919999,QZIOPOIUZGGXKI,Terpenoids,Monoterpenoids,Acyclic monoterpenoids,Penstemon virens,150754.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon virens'],6,0,6.0
11422,326,-1,,,,0.0,MS1_match,WGIJVZJOJAJNPV-FCAWZNDSSA-N,"InChI=1S/C21H32O14/c22-5-8-1-2-21(35-20-17(30)15(28)13(26)10(7-24)33-20)3-4-31-18(11(8)21)34-19-16(29)14(27)12(25)9(6-23)32-19/h1,3-4,9-20,22-30H,2,5-7H2/t9-,10-,11+,12-,13-,14+,15+,16-,17-,18+,19+,20+,21-/m1/s1",OCC1=CC[C@@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12,C21H32O14,pos_1_1proton1acetonitrile,508.179205704,WGIJVZJOJAJNPV,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago subulata,185894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago subulata'],6,0,6.0
11423,326,-1,,,,0.0,MS1_match,NOVFAHFRCMKDBE-XWNHHEAISA-N,"InChI=1S/C21H32O14/c22-4-7-3-9(24)8-1-2-31-19(12(7)8)35-21-18(30)16(28)14(26)11(34-21)6-32-20-17(29)15(27)13(25)10(5-23)33-20/h1-3,8-30H,4-6H2/t8-,9-,10+,11+,12+,13+,14+,15-,16-,17+,18-,19-,20+,21+/m0/s1",OCC1=C[C@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]12,C21H32O14,pos_1_1proton1acetonitrile,508.179205704,NOVFAHFRCMKDBE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
11424,326,-1,,,,0.0,MS1_match,NOVFAHFRCMKDBE-XWNHHEAISA-N,"InChI=1S/C21H32O14/c22-4-7-3-9(24)8-1-2-31-19(12(7)8)35-21-18(30)16(28)14(26)11(34-21)6-32-20-17(29)15(27)13(25)10(5-23)33-20/h1-3,8-30H,4-6H2/t8-,9-,10+,11+,12+,13+,14+,15-,16-,17+,18-,19-,20+,21+/m0/s1",OCC1=C[C@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]12,C21H32O14,pos_1_1proton1acetonitrile,508.179205704,NOVFAHFRCMKDBE,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago asiatica,217282.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago asiatica'],6,0,6.0
11425,324,-1,,,,0.0,MS1_match,SLZNZYANPUQEBD-GLPYBOBHSA-N,"InChI=1S/C33H46O11/c1-16(2)31(40)44-28-27(43-23(9)37)20(6)26(42-22(8)36)24-25(41-21(7)35)18(4)14-33(24,15-19(5)34)29(38)17(3)12-13-32(10,11)30(28)39/h12-13,16-18,24-28H,6,14-15H2,1-5,7-11H3/b13-12+/t17-,18+,24-,25+,26+,27+,28-,33-/m1/s1",C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@H](C)C[C@]2(CC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)C(=O)[C@H](OC(=O)C(C)C)[C@H]1OC(C)=O,C33H46O11,pos_1_minus1proton2sodium,618.304012292,SLZNZYANPUQEBD,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
11426,324,-1,,,,0.0,MS1_match,PGAJUQOMDBGDPH-BYYJYFEHSA-N,"InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@]23CO[C@](O)([C@@](C)(O)[C@H]12)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]1[C@H]3OC(=O)c1ccccc1,C35H44O11,pos_1_1sodium,640.2883622279999,PGAJUQOMDBGDPH,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia polycaulis,3912248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia polycaulis'],7,0,7.0
11427,324,-1,,,,0.0,MS1_match,PGAJUQOMDBGDPH-BYYJYFEHSA-N,"InChI=1S/C35H44O11/c1-8-12-26(38)44-28-20(4)17-34(46-22(6)37)27(28)30(45-31(39)23-13-10-9-11-14-23)33-18-42-35(34,41)32(7,40)29(33)24(19(2)3)15-16-25(33)43-21(5)36/h9-11,13-16,20,24-25,27-30,40-41H,2,8,12,17-18H2,1,3-7H3/t20-,24+,25+,27+,28-,29-,30+,32-,33+,34+,35+/m0/s1",C=C(C)[C@H]1C=C[C@@H](OC(C)=O)[C@]23CO[C@](O)([C@@](C)(O)[C@H]12)[C@@]1(OC(C)=O)C[C@H](C)[C@H](OC(=O)CCC)[C@@H]1[C@H]3OC(=O)c1ccccc1,C35H44O11,pos_1_1sodium,640.2883622279999,PGAJUQOMDBGDPH,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia decipiens,442917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia decipiens'],7,0,7.0
11428,324,-1,,,,0.0,MS1_match,QIBBWTGAUNURQV-SXWZHASOSA-N,"InChI=1S/C35H44O11/c1-17-15-35-32(45-25(39)14-23-10-12-24(41-9)13-11-23)18(2)16-34(35,46-35)31(40)19(3)29(43-21(5)37)26-27(33(26,7)8)30(44-22(6)38)28(17)42-20(4)36/h10-13,15,18-19,26-30,32H,14,16H2,1-9H3/b17-15+/t18-,19+,26-,27+,28+,29-,30-,32-,34-,35-/m0/s1",COc1ccc(CC(=O)O[C@H]2[C@@H](C)C[C@@]34O[C@@]23/C=C(\C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C4=O)C2(C)C)cc1,C35H44O11,pos_1_1sodium,640.288362228,QIBBWTGAUNURQV,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia officinarum,326310.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia officinarum'],7,0,7.0
11429,323,-1,,,,0.0,MS1_match,SHZGCJCMOBCMKK-JFNONXLTSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1",C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,pos_2MK,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Bombax ceiba,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0
11430,323,-1,,,,0.0,MS1_match,SHZGCJCMOBCMKK-JFNONXLTSA-N,"InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6?/m0/s1",C[C@@H]1OC(O)[C@H](O)[C@H](O)[C@H]1O,C6H12O5,pos_2MK,164.068473484,SHZGCJCMOBCMKK,Carbohydrates,Saccharides,Disaccharides,Bombax malabaricum,151046.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Bombax'],['Bombax ceiba'],6,0,6.0
11431,322,-1,,,,0.43718684,ISDB,QURCVMIEKCOAJU-UHFFFAOYSA-N,"InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)",COc1ccc(C=CC(=O)O)cc1O,C10H10O4,,194.0579088,QURCVMIEKCOAJU,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Digitalis ferruginea,644418.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis ferruginea'],6,0,7.7487473487854
11432,321,50,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.28156635,ISDB,,,,,,,RVSJNDKZLRQIIG,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1262654066085815
11433,320,211,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3",CC(=O)C=CC1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2MFe,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,3,7.5
11434,320,211,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),0.0,MS1_match,JJRYPZMXNLLZFH-UHFFFAOYSA-N,"InChI=1S/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3",CC(=O)C=CC1(O)C(C)=CC(=O)CC1(C)C,C13H18O3,pos_2MFe,222.125594436,JJRYPZMXNLLZFH,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Corchorus olitorius,578269.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Apeibeae'],['Corchorus'],['Corchorus olitorius'],6,3,7.5
11435,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-UHFFFAOYSA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(O)C12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia punctata,150364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia punctata'],6,3,7.5
11436,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-UHFFFAOYSA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(O)C12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia vulgaris,5783296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia vulgaris'],6,3,7.5
11437,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-AWQYILTISA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia bisnagarica,7053916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia bisnagarica'],6,3,7.5
11438,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-AWQYILTISA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia trichosantha,173924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia trichosantha'],6,3,7.5
11439,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-UHFFFAOYSA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(O)C12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia punctata,150364.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia punctata'],6,3,7.5
11440,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-UHFFFAOYSA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)",O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(CO)=CC(O)C12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia vulgaris,5783296.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia vulgaris'],6,3,7.5
11441,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-AWQYILTISA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia bisnagarica,7053916.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia bisnagarica'],6,3,7.5
11442,319,136,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,ZVXWFPTVHBWJOU-AWQYILTISA-N,"InChI=1S/C16H22O11/c17-2-5-1-7(19)10-6(14(23)24)4-25-15(9(5)10)27-16-13(22)12(21)11(20)8(3-18)26-16/h1,4,7-13,15-22H,2-3H2,(H,23,24)/t7-,8-,9-,10+,11-,12+,13-,15+,16+/m1/s1",O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12,C16H22O11,pos_1_1proton1ethylamine,390.1162115239999,ZVXWFPTVHBWJOU,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Globularia trichosantha,173924.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia trichosantha'],6,3,7.5
11443,318,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5344397,ISDB,NPNNKDMSXVRADT-WEVVVXLNSA-N,"InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+",COc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1O,C18H19NO4,,313.131408088,NPNNKDMSXVRADT,Amino acids and Peptides,Phenylpropanoids (C6-C3),Cinnamic acid amides,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,11.137758731842041
11444,316,-1,,,,0.0,MS1_match,SYBXHKPNOOTSRG-YUHDQEDHSA-N,"InChI=1S/C38H58O4/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-27-31-35-41-38(40)34-30-26-23-25-29-33-37(42-36(3)39)32-28-24-21-11-9-7-5-2/h5,7,12-13,15-16,28,32,37H,4,6,8,10,14,17-20,22-23,25-27,29-31,33-35H2,1-3H3/b7-5-,13-12-,16-15-,32-28+/t37-/m0/s1",C/C=C\C#CC#C/C=C/[C@@H](CCCCCCCC(=O)OCCCCCCCC/C=C\C/C=C\CCCCC)OC(C)=O,C38H58O4,pos_1_1proton1methanol,578.433510336,SYBXHKPNOOTSRG,Fatty acids,Fatty esters,Wax monoesters,Inulanthera dregeana,5920598.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Inulanthera'],['Inulanthera dregeana'],6,0,6.0
11445,311,197,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.27066353,ISDB,XUPDHFIEIOXDJS-WRAZKPBKSA-N,"InChI=1S/C21H30O7/c1-9-7-15-13(10(2)19(25)27-15)8-14-12(9)5-6-21(14,4)28-20-18(24)17(23)16(22)11(3)26-20/h7,11-18,20,22-24H,2,5-6,8H2,1,3-4H3/t11-,12-,13+,14+,15+,16-,17+,18+,20-,21+/m0/s1",C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3CC[C@@](C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3C[C@H]12,C21H30O7,,394.1991532999999,XUPDHFIEIOXDJS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Helenium donianum,7604631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium donianum'],4,3,6.582654118537903
11446,311,197,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.27066353,ISDB,XUPDHFIEIOXDJS-WRAZKPBKSA-N,"InChI=1S/C21H30O7/c1-9-7-15-13(10(2)19(25)27-15)8-14-12(9)5-6-21(14,4)28-20-18(24)17(23)16(22)11(3)26-20/h7,11-18,20,22-24H,2,5-6,8H2,1,3-4H3/t11-,12-,13+,14+,15+,16-,17+,18+,20-,21+/m0/s1",C=C1C(=O)O[C@@H]2C=C(C)[C@@H]3CC[C@@](C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3C[C@H]12,C21H30O7,,394.1991532999999,XUPDHFIEIOXDJS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Helenium argentinum,7604621.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium argentinum'],4,3,6.582654118537903
11447,311,197,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.27066353,ISDB,XUPDHFIEIOXDJS-SPCYKQKYSA-N,"InChI=1S/C21H30O7/c1-9-7-15-13(10(2)19(25)27-15)8-14-12(9)5-6-21(14,4)28-20-18(24)17(23)16(22)11(3)26-20/h7,11-18,20,22-24H,2,5-6,8H2,1,3-4H3/t11-,12+,13+,14+,15+,16-,17+,18+,20-,21+/m0/s1",C=C1C(=O)O[C@@H]2C=C(C)[C@H]3CC[C@@](C)(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H]3C[C@H]12,C21H30O7,,394.1991533,XUPDHFIEIOXDJS,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Helenium radiatum,7604647.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Helenieae'],['Helenium'],['Helenium radiatum'],4,3,6.582654118537903
11448,310,92,Alkaloids,Lignans,Purine alkaloids,0.0,MS1_match,LSKFUSLVUZISST-WCBMZHEXSA-N,"InChI=1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3/t8-,10+/m0/s1",COc1cc([C@@H](O)[C@@H](O)CO)ccc1O,C10H14O5,pos_2MHNH3,214.084123548,LSKFUSLVUZISST,Shikimates and Phenylpropanoids,Lignans,Minor lignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,2,7.0
11449,307,-1,,,,0.0,MS1_match,ILRYLPWNYFXEMH-WHFBIAKZSA-N,"InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1",N[C@@H](CCSC[C@H](N)C(=O)O)C(=O)O,C7H14N2O4S,pos_1_1proton2acetonitrile,222.067427928,ILRYLPWNYFXEMH,Amino acids and Peptides,Small peptides,Aminoacids,Hordeum vulgare,657948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Hordeum'],['Hordeum vulgare'],7,0,7.0
11450,306,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,FFKXTXJQZGIKQZ-WAGMVDSNSA-N,"InChI=1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21+,22-,24-,25-,26-,27-,28-/m1/s1",C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](Cc5ccccc5)(O[C@@H]1[C@@H]3C=C(CO)C[C@]1(O)C(=O)C(C)=C[C@@H]41)O2,C28H32O6,pos_1_1proton1isopropanol,464.219888744,FFKXTXJQZGIKQZ,Terpenoids,Diterpenoids,Daphnane diterpenoids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],7,2,8.0
11451,303,51,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,XWGDMVNWFZRSNF-ZCYQVOJMSA-N,"InChI=1S/C26H24O10/c1-33-21-7-14(19-11-18(31)24-17(30)9-16(29)10-20(24)35-19)8-22(34-2)26(21)36-23(12-27)25(32)13-3-5-15(28)6-4-13/h3-11,23,25,27-30,32H,12H2,1-2H3/t23-,25-/m0/s1",COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1O[C@@H](CO)[C@@H](O)c1ccc(O)cc1,C26H24O10,pos_1_1proton,496.1369469679999,XWGDMVNWFZRSNF,Shikimates and Phenylpropanoids,Lignans,Flavonolignans,Bambusa emeiensis,452032.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Bambuseae'],['Bambusa'],['Bambusa emeiensis'],6,1,6.5
11452,301,-1,,,,0.0,MS1_match,KZSRKQQVUFTOHJ-UHFFFAOYSA-N,"InChI=1S/C16H12O7/c1-22-13-4-7(2-3-8(13)17)12-6-10(19)14-9(18)5-11(20)15(21)16(14)23-12/h2-6,17-18,20-21H,1H3",COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)ccc1O,C16H12O7,pos_1_1sodium,316.058302724,KZSRKQQVUFTOHJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica persica,659915.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica persica'],7,0,7.0
11453,297,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,pos_1_1proton1ethylamine,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Romneya coulteri,565714.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Romneya'],['Romneya coulteri'],6,3,7.5
11454,297,35,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Cinnamic acids and derivatives,0.0,MS1_match,IPRPPFIAVHPVJH-UHFFFAOYSA-N,"InChI=1S/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2",O=CCc1ccc(O)cc1,C8H8O2,pos_1_1proton1ethylamine,136.052429496,IPRPPFIAVHPVJH,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Macleaya cordata,96185.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Macleaya'],['Macleaya cordata'],6,3,7.5
11455,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
11456,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,PDGAQYSSZSIVSF-IROTVPAZSA-N,"InChI=1S/C15H20O4/c1-7-4-5-10-13(19-14(17)15(10,3)18)12-8(2)11(16)6-9(7)12/h9-13,16,18H,1-2,4-6H2,3H3/t9-,10+,11-,12-,13-,15+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](C)(O)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,PDGAQYSSZSIVSF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Dolomiaea souliei,416979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Dolomiaea'],['Dolomiaea souliei'],7,3,8.5
11457,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops spinosissimus,13142.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops spinosissimus'],7,3,8.5
11458,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KFIKXYBWGMDXOP-VPCRRHSYSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-8(2)15(18)19-14(9)13-10(7)5-12(17)11(13)6-16/h9-14,16-17H,1-6H2/t9-,10-,11+,12-,13+,14-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3[C@H](CO)[C@@H](O)C[C@H]3C(=C)CC[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,KFIKXYBWGMDXOP,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Amphoricarpos neumayerianus,3894611.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Amphoricarpos'],['Amphoricarpos neumayerianus'],7,3,8.5
11459,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
11460,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pabotii,7613278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pabotii'],7,3,8.5
11461,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,3,8.5
11462,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(=C)C(O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11463,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11464,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-YDQFZURESA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10+,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea laniceps,636948.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea laniceps'],7,3,8.5
11465,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea triumfettii,1003249.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea triumfettii'],7,3,8.5
11466,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus falcisectus,404590.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus falcisectus'],7,3,8.5
11467,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
11468,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,3,8.5
11469,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
11470,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-WWRXHXRLSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2C(=C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea involucrata,485301.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea involucrata'],7,3,8.5
11471,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
11472,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-LZRJYULZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
11473,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,QKZAGVAREZGRQW-MAEJKLRXSA-N,"InChI=1S/C15H20O4/c1-7-3-4-9-11(6-16)15(18)19-14(9)13-8(2)12(17)5-10(7)13/h8,10,12-14,16-17H,1,3-6H2,2H3/t8-,10+,12-,13+,14+/m0/s1",C=C1CCC2=C(CO)C(=O)O[C@H]2[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,QKZAGVAREZGRQW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Echinops ritro,643726.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Echinops'],['Echinops ritro'],7,3,8.5
11474,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,AEWOONBLAKEKSC-CLSQCYNNSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h8-14,16-17H,1-2,4-5H2,3H3/t8-,9-,10-,11-,12-,13+,14+/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3[C@@H](O)CC(=C)[C@@H]2C[C@@H]1O,C15H20O4,pos_1_1proton1ammonium,264.13615912,AEWOONBLAKEKSC,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
11475,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11476,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FHYQPZNZWJKLKK-HGVZAONGSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10-,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
11477,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,FHYQPZNZWJKLKK-FUCUMGKVSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9-14,16-17H,1,3-5H2,2H3/t7-,9+,10+,11+,12+,13-,14-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(=C)[C@@H]1C[C@H](O)[C@@H](C)[C@H]21,C15H20O4,pos_1_1proton1ammonium,264.13615912,FHYQPZNZWJKLKK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
11478,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Onopordum laconicum,3894506.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum laconicum'],7,3,8.5
11479,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-CDUHWDNDSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8-,9-,11-,12-,13+,14+/m0/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea sinaica,7052251.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea procurrens'],7,3,8.5
11480,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-UHFFFAOYSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3",C=C1CC(O)C2C(C)C(=O)OC2C2C(C)C(=O)CC12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Jurinea maxima,7612155.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea maxima'],7,3,8.5
11481,296,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZAPNUFCAIXITRW-LUQFHCQZSA-N,"InChI=1S/C15H20O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7-9,11-14,17H,1,4-5H2,2-3H3/t7-,8+,9+,11+,12+,13-,14-/m1/s1",C=C1C[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O4,pos_1_1proton1ammonium,264.13615912,ZAPNUFCAIXITRW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemistepta lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11482,294,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.5700395,ISDB,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,,233.090806228,BCRXKWOQVFKZAG,,,,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],3,0,5.280158042907715
11483,294,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.5700395,ISDB,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,,233.090806228,BCRXKWOQVFKZAG,,,,Rorippa sylvestris,1082739.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa sylvestris'],3,0,5.280158042907715
11484,294,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.5700395,ISDB,BCRXKWOQVFKZAG-UHFFFAOYSA-N,"InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3",C[S+]([O-])CCCCCCCCN=C=S,C10H19NOS2,,233.090806228,BCRXKWOQVFKZAG,,,,Rorippa indica,341724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Cardamineae'],['Rorippa'],['Rorippa indica'],3,0,5.280158042907715
11485,291,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWDKIUHKLIZGEF-LRJNHNEYSA-N,"InChI=1S/C20H24O7/c1-9(4-5-21)18(23)26-13-6-10(2)12-7-14(22)20(8-25-20)16(12)17-15(13)11(3)19(24)27-17/h4,12-17,21-22H,2-3,5-8H2,1H3/b9-4+/t12-,13-,14-,15+,16-,17-,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/CO)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21,C20H24O7,pos_1_1proton,376.152203108,LWDKIUHKLIZGEF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
11486,291,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MSTZNVVCBOEAGA-UHFFFAOYSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(=O)C(=C)C2C2OC(=O)C(=C)C12,C19H20O6,pos_1_1proton1methanol,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara,991883.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Unknown'],7,3,8.5
11487,291,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MSTZNVVCBOEAGA-ZZTPXLKCSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2/t12-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H20O6,pos_1_1proton1methanol,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
11488,291,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MSTZNVVCBOEAGA-ZZTPXLKCSA-N,"InChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2/t12-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2CC(=O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H20O6,pos_1_1proton1methanol,344.12598836,MSTZNVVCBOEAGA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
11489,291,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,RWDWCHAZOMBQBT-HRTLRMGBSA-N,"InChI=1S/C20H24O7/c1-5-8(2)18(23)26-11-6-9(3)12-14(16-13(11)10(4)19(24)27-16)20(7-25-20)17(22)15(12)21/h5,11-17,21-22H,3-4,6-7H2,1-2H3/b8-5+/t11-,12-,13+,14-,15+,16-,17-,20-/m0/s1",C=C1C[C@H](OC(=O)/C(C)=C/C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1[C@@H](O)[C@H](O)[C@]21CO1,C20H24O7,pos_1_1proton,376.152203108,RWDWCHAZOMBQBT,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea uniflora,1008871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea uniflora'],7,3,8.5
11490,291,330,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWDKIUHKLIZGEF-LRJNHNEYSA-N,"InChI=1S/C20H24O7/c1-9(4-5-21)18(23)26-13-6-10(2)12-7-14(22)20(8-25-20)16(12)17-15(13)11(3)19(24)27-17/h4,12-17,21-22H,2-3,5-8H2,1H3/b9-4+/t12-,13-,14-,15+,16-,17-,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/CO)CC(=C)[C@@H]1C[C@H](O)[C@]3(CO3)[C@H]21,C20H24O7,pos_1_1proton,376.152203108,LWDKIUHKLIZGEF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea uniflora,1008871.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea uniflora'],7,3,8.5
11491,290,257,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,BJCGLAAQSUGMKB-UHFFFAOYSA-N,"InChI=1S/C13H12O8/c1-6(14)19-10-4-9(13(17)18)5-11(20-7(2)15)12(10)21-8(3)16/h4-5H,1-3H3,(H,17,18)",CC(=O)Oc1cc(C(=O)O)cc(OC(C)=O)c1OC(C)=O,C13H12O8,pos_1_1proton,296.053217344,BJCGLAAQSUGMKB,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Alchornea glandulosa,3911479.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Alchorneae'],['Alchornea'],['Alchornea glandulosa'],6,3,7.5
11492,286,-1,,,,0.7998727,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia retusa,679071.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia retusa'],8,0,11.199490785598755
11493,286,-1,,,,0.7998727,ISDB,ZRMFWYQIICGVKU-JYZFZSDMSA-N,"InChI=1S/C20H24O3/c1-10-16-14(23-18(10)22)8-13-12(17(16)21)4-5-15-19(13,2)7-6-11-9-20(11,15)3/h11,14-15H,4-9H2,1-3H3/t11?,14-,15+,19+,20+/m1/s1",CC1=C2C(=O)C3=C(C[C@H]2OC1=O)[C@]1(C)CCC2C[C@]2(C)[C@H]1CC3,C20H24O3,,312.172544628,ZRMFWYQIICGVKU,Terpenoids,Diterpenoids,Cycloabietane diterpenoids,Euphorbia sulcata,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,0,11.199490785598755
11494,285,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.9341759,ISDB,FTVWIRXFELQLPI-CYBMUJFWSA-N,"InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m1/s1",O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21,C15H12O5,,272.068473484,FTVWIRXFELQLPI,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,14.236703634262085
11495,284,-1,,,,0.21987735,ISDB,,,,,,,GJKSCKQATWDPSB,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8795093894004822
11496,283,37,Alkaloids,Tryptophan alkaloids,Jasmonic acids,0.0,MS1_match,ZNJFBWYDHIGLCU-HWKXXFMVSA-N,"InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)O,C12H18O3,pos_2MFe,210.125594436,ZNJFBWYDHIGLCU,Fatty acids,Octadecanoids,Jasmonic acids,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,3,9.5
11497,281,771,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,JXOHGGNKMLTUBP-HSUXUTPPSA-N,"InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1",O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1,C7H10O5,pos_2MHCH3CN,174.05282342,JXOHGGNKMLTUBP,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Shikimic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
11498,279,138,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,KYSQDMNDMYECNZ-GGKWECFFSA-N,"InChI=1S/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+/t8-,13+/m0/s1",O=C(O)C[C@H](C(=O)O)[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)O,C15H14O10,pos_1_1proton1isopropanol,354.058696648,KYSQDMNDMYECNZ,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Dactylis glomerata,83469.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Dactylis'],['Dactylis glomerata'],6,3,7.5
11499,278,-1,,,,0.0,MS1_match,LVWCGFQTAFKQBI-DWBQKEMDSA-N,"InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1",CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C,C30H42O6,pos_1_1proton1ethylamine,498.298139064,LVWCGFQTAFKQBI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11500,273,-1,,,,0.0,MS1_match,VTYALRCJZUQYGF-WJPDVHSPSA-N,"InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h9-14,16-17,20,23-24,26-27,29,35,37H,7-8,15,18H2,1-6H3/b10-9+,12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCC/C=C/C=C\C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H42O7,pos_1_1proton1ethylamine,538.293053684,VTYALRCJZUQYGF,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia rigida,535724.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia rigida'],7,0,7.0
11501,273,-1,,,,0.0,MS1_match,VTYALRCJZUQYGF-WJPDVHSPSA-N,"InChI=1S/C32H42O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)27(35)32(29,31)37/h9-14,16-17,20,23-24,26-27,29,35,37H,7-8,15,18H2,1-6H3/b10-9+,12-11-,14-13+/t20-,23+,24-,26+,27-,29+,31+,32+/m0/s1",CCC/C=C/C=C\C=C\C(=O)O[C@@H]1C(C)=C[C@@]23C(=O)[C@H](C=C(COC(C)=O)[C@H](O)[C@@]12O)[C@@H]1[C@H](C[C@@H]3C)C1(C)C,C32H42O7,pos_1_1proton1ethylamine,538.293053684,VTYALRCJZUQYGF,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia nicaeensis,181008.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nicaeensis'],7,0,7.0
11502,270,-1,,,,0.0,MS1_match,KKLWTTVTWMTNBP-KYXYLJOWSA-N,"InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H22O10,pos_1_1sodium,386.1212969039999,KKLWTTVTWMTNBP,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
11503,267,-1,,,,0.0,MS1_match,LVWCGFQTAFKQBI-DWBQKEMDSA-N,"InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1",CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C,C30H42O6,pos_1_1proton1ammonium,498.298139064,LVWCGFQTAFKQBI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11504,265,-1,,,,0.0,MS1_match,KPQCBBBNEYDLKJ-IRUCQPONSA-N,"InChI=1S/C50H82O24/c1-18-7-10-50(66-16-18)19(2)29-41(74-50)34(59)30-21-6-5-20-11-25(23(54)12-49(20,4)22(21)8-9-48(29,30)3)67-45-39(64)36(61)40(28(15-53)70-45)71-47-43(73-46-38(63)35(60)32(57)26(13-51)68-46)42(33(58)27(14-52)69-47)72-44-37(62)31(56)24(55)17-65-44/h18-47,51-64H,5-17H2,1-4H3/t18-,19+,20+,21-,22-,23-,24-,25-,26-,27-,28-,29+,30-,31+,32+,33-,34+,35+,36-,37-,38-,39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1[C@@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C50H82O24,pos_3_1proton2sodium,1066.519603504,KPQCBBBNEYDLKJ,Terpenoids,Steroids,Spirostane steroids,Digitalis purpurea,75205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis purpurea'],6,0,6.0
11505,264,1257,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.40528616,ISDB,ZGMORAIVFRLFQJ-ZCFIWIBFSA-N,"InChI=1S/C10H13NO2/c1-6-9-7(4-5-11-6)2-3-8(12)10(9)13/h2-3,6,11-13H,4-5H2,1H3/t6-/m1/s1",C[C@H]1NCCc2ccc(O)c(O)c21,C10H13NO2,,179.094628656,ZGMORAIVFRLFQJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Mirabilis jalapa,740466.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Nyctaginaceae'],['Unknown'],['Mirabilis'],['Mirabilis jalapa'],4,0,5.621144652366638
11506,260,680,Terpenoids,Phenolic acids (C6-C1),Simple phenolic acids,0.0,MS1_match,MOBYACALHPXMHU-UHFFFAOYSA-N,"InChI=1S/C13H16O9/c14-4-8-9(17)10(18)11(19)13(21-8)22-12(20)5-1-2-6(15)7(16)3-5/h1-3,8-11,13-19H,4H2",O=C(OC1OC(CO)C(O)C(O)C1O)c1ccc(O)c(O)c1,C13H16O9,pos_1_1proton1ethylamine,316.07943209199993,MOBYACALHPXMHU,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,3,7.5
11507,258,-1,,,,0.0,MS1_match,OALYTRUKMRCXNH-QMMMGPOBSA-N,"InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3/t8-/m0/s1",CCCCC[C@H]1CCC(=O)O1,C9H16O2,pos_2MNa,156.115029752,OALYTRUKMRCXNH,Fatty acids,Fatty esters,Lactones,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,0,6.0
11508,254,-1,,,,0.0,MS1_match,FFDULTAFAQRACT-XKBSQSBASA-N,"InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,33-,34-/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C34H46O18,pos_2_1calcium,742.2684146320001,FFDULTAFAQRACT,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Luehea candicans,5785016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Luehea'],['Luehea candicans'],6,0,6.0
11509,254,-1,,,,0.0,MS1_match,FFDULTAFAQRACT-XKBSQSBASA-N,"InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,33-,34-/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C34H46O18,pos_2_1calcium,742.2684146320001,FFDULTAFAQRACT,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Luehea candicans,5785016.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Grewieae'],['Luehea'],['Luehea candicans'],6,0,6.0
11510,254,-1,,,,0.0,MS1_match,ZXKOJMMUPXTIIZ-JTSKRJEESA-N,"InChI=1S/C22H21NO4/c1-26-21-16(12-24)23-15-10-9-14-18(19(15)20(21)25)17-8-5-11-22(14,27-17)13-6-3-2-4-7-13/h2-4,6-7,9-10,17,24H,5,8,11-12H2,1H3,(H,23,25)/t17-,22-/m0/s1",COc1c(CO)[nH]c2ccc3c(c2c1=O)[C@@H]1CCC[C@@]3(c2ccccc2)O1,C22H21NO4,pos_2MFe,363.147058152,ZXKOJMMUPXTIIZ,Alkaloids,Tryptophan alkaloids,Quinoline alkaloids,Waltheria indica,1039214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Waltheria'],['Waltheria indica'],6,0,6.0
11511,254,-1,,,,0.0,MS1_match,YMKHXSSEMDPLTR-JKSBSHDWSA-N,"InChI=1S/C22H21NO4/c1-12-21(26-2)20(25)19-15(23-12)9-8-14-18(19)16-10-11-17(24)22(14,27-16)13-6-4-3-5-7-13/h3-9,16-17,24H,10-11H2,1-2H3,(H,23,25)/t16-,17+,22-/m0/s1",COc1c(C)[nH]c2ccc3c(c2c1=O)[C@@H]1CC[C@@H](O)[C@@]3(c2ccccc2)O1,C22H21NO4,pos_2MFe,363.147058152,YMKHXSSEMDPLTR,,,,Waltheria indica,1039214.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Waltheria'],['Waltheria indica'],6,0,6.0
11512,247,-1,,,,0.5602081,ISDB,QVOJHZPSXNUASC-AKHDSKFASA-N,"InChI=1S/C19H33NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h3-4,16-18,20-21H,1-2,5-15H2/t16-,17-,18+,19-/m1/s1",C=CCCC[C@@H]1CCC[C@]2(CCC[C@H](O)[C@H]2CCC=C)N1,C19H33NO,,291.256214676,QVOJHZPSXNUASC,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Oophaga histrionica,316701.0,['Eukaryota'],['Metazoa'],['Chordata'],['Amphibia'],['Anura'],['Dendrobatidae'],['Unknown'],['Oophaga'],['Oophaga histrionica'],2,0,4.240832328796387
11513,246,-1,,,,0.0,MS1_match,DTHPKFOZPQHUHF-MPXQTMFQSA-N,"InChI=1S/C20H26O6/c1-9(8-21)5-16(23)25-15-6-10(2)13-7-14(22)11(3)17(13)19-18(15)12(4)20(24)26-19/h5,12-15,17-19,21-22H,2-3,6-8H2,1,4H3/t12-,13+,14+,15+,17+,18-,19-/m1/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@H](C)[C@@H]3[C@@H](OC(=O)C=C(C)CO)CC(=C)[C@@H]2C[C@@H]1O,C20H26O6,pos_2MNa,362.172938552,DTHPKFOZPQHUHF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
11514,246,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-USXKLAHMSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9-,15-4+/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus intybaceus,404582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus intybaceus'],7,0,7.0
11515,246,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-MMCOIQDOSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9-,15-4-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea aspera,1066124.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea aspera'],7,0,7.0
11516,246,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-QWDZTYROSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9+,15-4-/t16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Onopordum illyricum,575504.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Onopordum'],['Onopordum illyricum'],7,0,7.0
11517,246,-1,,,,0.0,MS1_match,KOGNLNRVSGSMIV-UQIYLIDBSA-N,"InChI=1S/C20H26O6/c1-4-15(11-22)20(24)26-16-8-12(2)6-5-7-14(10-21)9-17-18(16)13(3)19(23)25-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-6+,14-9-,15-4+/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]12,C20H26O6,pos_2MNa,362.172938552,KOGNLNRVSGSMIV,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea glomerata,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,0,7.0
11518,246,-1,,,,0.0,MS1_match,MYEVWBQFOBSIOC-NGXXMSIOSA-N,"InChI=1S/C20H26O6/c1-4-12(9-21)19(24)25-14-8-20(3)7-5-6-13(10-22)16(20)17-15(14)11(2)18(23)26-17/h4,10,13-17,21H,2,5-9H2,1,3H3/b12-4-/t13-,14-,15+,16?,17-,20+/m0/s1",C=C1C(=O)O[C@@H]2C3[C@H](C=O)CCC[C@]3(C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,MYEVWBQFOBSIOC,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Cheirolophus,70332.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Unknown'],7,0,7.0
11519,246,-1,,,,0.0,MS1_match,FSKLYZXJGAAEQB-MGLAFYJRSA-N,"InChI=1S/C20H26O6/c1-9-6-14(25-15(22)8-20(4,5)24)17-11(3)19(23)26-18(17)16-10(2)13(21)7-12(9)16/h12-14,16-18,21,24H,1-3,6-8H2,4-5H3/t12-,13-,14-,16-,17+,18+/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)CC(C)(C)O)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,FSKLYZXJGAAEQB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,0,7.0
11520,246,-1,,,,0.0,MS1_match,ASTRIIIPMUNQFB-JMDKQINASA-N,"InChI=1S/C20H26O6/c1-6-8(2)19(23)26-18-13-9(3)7-12(21)14-11(5)20(24)25-17(14)15(13)10(4)16(18)22/h8,12-18,21-22H,3-7H2,1-2H3/t8?,12-,13-,14+,15-,16+,17-,18+/m0/s1",C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)CC)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,ASTRIIIPMUNQFB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
11521,246,-1,,,,0.0,MS1_match,ASTRIIIPMUNQFB-JMDKQINASA-N,"InChI=1S/C20H26O6/c1-6-8(2)19(23)26-18-13-9(3)7-12(21)14-11(5)20(24)25-17(14)15(13)10(4)16(18)22/h8,12-18,21-22H,3-7H2,1-2H3/t8?,12-,13-,14+,15-,16+,17-,18+/m0/s1",C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)CC)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,ASTRIIIPMUNQFB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,0,7.0
11522,246,-1,,,,0.0,MS1_match,ASTRIIIPMUNQFB-JMDKQINASA-N,"InChI=1S/C20H26O6/c1-6-8(2)19(23)26-18-13-9(3)7-12(21)14-11(5)20(24)25-17(14)15(13)10(4)16(18)22/h8,12-18,21-22H,3-7H2,1-2H3/t8?,12-,13-,14+,15-,16+,17-,18+/m0/s1",C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)[C@H](OC(=O)C(C)CC)[C@@H]12,C20H26O6,pos_2MNa,362.172938552,ASTRIIIPMUNQFB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,0,7.0
11523,246,-1,,,,0.0,MS1_match,ISNCBKDTMCCSDO-LHRVHFEYSA-N,"InChI=1S/C20H26O6/c1-10(2)9-13(21)24-16-14-12(4)19(23)25-17(14)18-20(5,26-18)8-6-7-11(3)15(16)22/h7,9,14-18,22H,4,6,8H2,1-3,5H3/b11-7+/t14-,15+,16-,17+,18+,20-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@@H](O)/C(C)=C/CC[C@@]1(C)O[C@@H]21,C20H26O6,pos_2MNa,362.172938552,ISNCBKDTMCCSDO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus coronopifolius,1036517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus coronopifolius'],7,0,7.0
11524,246,-1,,,,0.0,MS1_match,VSSKJOWJRGBTGI-AAHYQJLRSA-N,"InChI=1S/C20H26O6/c1-12-5-4-6-15(11-22)10-17-18(14(3)20(24)26-17)16(9-12)25-19(23)13(2)7-8-21/h5,7,10,16-18,21-22H,3-4,6,8-9,11H2,1-2H3/b12-5+,13-7-,15-10-/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(C)=C\CO)[C@H]12,C20H26O6,pos_2MNa,362.172938552,VSSKJOWJRGBTGI,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Centaurea glomerata,202719.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea glomerata'],7,0,7.0
11525,246,-1,,,,0.0,MS1_match,RNNKSBPSDFMQAP-AHBZROHESA-N,"InChI=1S/C20H26O6/c1-11-6-5-7-20(4)18(26-20)17-16(13(3)19(23)25-17)14(8-11)24-15(22)9-12(2)10-21/h6,9,14,16-18,21H,3,5,7-8,10H2,1-2,4H3/b11-6+,12-9+/t14-,16+,17-,18-,20+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C=C(\C)CO)C/C(C)=C/CC[C@@]1(C)O[C@@H]21,C20H26O6,pos_2MNa,362.172938552,RNNKSBPSDFMQAP,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus coronopifolius,1036517.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus coronopifolius'],7,0,7.0
11526,246,-1,,,,0.0,MS1_match,GUPVCILXGOZKNO-WUTDNEBXSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-11-7-4-5-9-13-20(26-19(3)23)14-10-6-8-12-16-25-18(2)22/h7,11,20H,6,8,10,12,14-16H2,1-3H3/b11-7+/t20-/m1/s1",CC(=O)OC/C=C/C#CC#C[C@H](CCCCCCOC(C)=O)OC(C)=O,C20H26O6,pos_2MNa,362.172938552,GUPVCILXGOZKNO,Fatty acids,Fatty esters,Wax monoesters,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
11527,246,-1,,,,0.0,MS1_match,GUPVCILXGOZKNO-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-11-7-4-5-9-13-20(26-19(3)23)14-10-6-8-12-16-25-18(2)22/h7,11,20H,6,8,10,12,14-16H2,1-3H3",CC(=O)OCC=CC#CC#CC(CCCCCCOC(C)=O)OC(C)=O,C20H26O6,pos_2MNa,362.172938552,GUPVCILXGOZKNO,Fatty acids,Fatty esters,Wax monoesters,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
11528,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium,465432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Unknown'],7,0,7.0
11529,246,-1,,,,0.0,MS1_match,ISNCBKDTMCCSDO-XYPKUFGPSA-N,"InChI=1S/C20H26O6/c1-10(2)9-13(21)24-16-14-12(4)19(23)25-17(14)18-20(5,26-18)8-6-7-11(3)15(16)22/h7,9,14-18,22H,4,6,8H2,1-3,5H3/b11-7-/t14-,15-,16-,17+,18-,20-/m1/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C=C(C)C)[C@H](O)/C(C)=C\CC[C@@]1(C)O[C@H]21,C20H26O6,pos_2MNa,362.172938552,ISNCBKDTMCCSDO,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Stizolophus balsamita,1036518.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Stizolophus'],['Stizolophus balsamita'],7,0,7.0
11530,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HZPDHXFCSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.1729385519999,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
11531,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,0,7.0
11532,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HZPDHXFCSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m1/s1",COc1cc(C[C@H](CO)[C@@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.1729385519999,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium lappa,46196.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Arctium lappa'],7,0,7.0
11533,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
11534,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Cousinia,597720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Unknown'],7,0,7.0
11535,246,-1,,,,0.0,MS1_match,NTVXUOCTXZYKAY-WNATUMEHSA-N,"InChI=1S/C20H26O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-4-,14-6-,15-9-/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O6,pos_2MNa,362.172938552,NTVXUOCTXZYKAY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinea moschus,7052153.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinea'],['Jurinea moschus'],7,0,7.0
11536,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Cousinia,597720.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Unknown'],7,0,7.0
11537,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-HOTGVXAUSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1",COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea medusa,474462.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea medusa'],7,0,7.0
11538,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,0,7.0
11539,246,-1,,,,0.0,MS1_match,PXSUBLMVADHFOG-XETPZZHUSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-12-10-8-6-4-5-7-9-11-13-20(26-19(3)23)14-16-25-18(2)22/h10,12,20H,7,9,11,13-16H2,1-3H3/b12-10+/t20-/m0/s1",CC(=O)OC/C=C/C#CC#CCCCC[C@@H](CCOC(C)=O)OC(C)=O,C20H26O6,pos_2MNa,362.172938552,PXSUBLMVADHFOG,Fatty acids,Fatty esters,Wax monoesters,Rhaponticoides ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
11540,246,-1,,,,0.0,MS1_match,PXSUBLMVADHFOG-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-17(21)24-15-12-10-8-6-4-5-7-9-11-13-20(26-19(3)23)14-16-25-18(2)22/h10,12,20H,7,9,11,13-16H2,1-3H3",CC(=O)OCC=CC#CC#CCCCCC(CCOC(C)=O)OC(C)=O,C20H26O6,pos_2MNa,362.172938552,PXSUBLMVADHFOG,Fatty acids,Fatty esters,Wax monoesters,Centaurea ruthenica,337133.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticoides'],['Rhaponticoides ruthenica'],7,0,7.0
11541,246,-1,,,,0.0,MS1_match,NTVXUOCTXZYKAY-WNATUMEHSA-N,"InChI=1S/C20H26O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,6,9,16-18,21-22H,3,5,7-8,10-11H2,1-2H3/b12-4-,14-6-,15-9-/t16-,17+,18-/m0/s1",C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(C)=C\C)[C@H]12,C20H26O6,pos_2MNa,362.172938552,NTVXUOCTXZYKAY,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Jurinella moschus,519450.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Jurinella'],['Jurinella moschus'],7,0,7.0
11542,246,-1,,,,0.0,MS1_match,PUETUDUXMCLALY-UHFFFAOYSA-N,"InChI=1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3",COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O,C20H26O6,pos_2MNa,362.172938552,PUETUDUXMCLALY,Shikimates and Phenylpropanoids,Lignans,Dibenzylbutane lignans,Arctium,465432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Arctium'],['Unknown'],7,0,7.0
11543,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis gigas,3951648.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis gigas'],5,3,10.013202428817749
11544,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oryza aristata,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],5,3,10.013202428817749
11545,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],5,3,10.013202428817749
11546,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-FNKLJWKFSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20-,21-,22-,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],5,3,10.013202428817749
11547,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Carex folliculata,1047911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Cyperaceae'],['Cariceae'],['Carex'],['Carex folliculata'],5,3,10.013202428817749
11548,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Avena sativa,790381.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Avena'],['Avena sativa'],5,3,10.013202428817749
11549,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Mayaca fluviatilis,333076.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Mayacaceae'],['Unknown'],['Mayaca'],['Mayaca fluviatilis'],5,3,10.013202428817749
11550,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis fauriei,3951610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis fauriei'],5,3,10.013202428817749
11551,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis canadensis var. langsdorffii,827991.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis canadensis'],5,3,10.013202428817749
11552,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis matsumurae,3951682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis matsumurae'],5,3,10.013202428817749
11553,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis sachalinensis,3951615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis sachalinensis'],5,3,10.013202428817749
11554,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis hakonensis,3951552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis hakonensis'],5,3,10.013202428817749
11555,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis tashiroi,3951543.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis tashiroi'],5,3,10.013202428817749
11556,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis arundinacea,533165.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis arundinacea'],5,3,10.013202428817749
11557,242,29,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,0.8783006,ISDB,IKGXIBQEEMLURG-NVPNHPEKSA-N,"InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1",C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C27H30O16,,610.15338488,IKGXIBQEEMLURG,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Calamagrostis deschampsioides,507698.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Calamagrostis'],['Calamagrostis deschampsioides'],5,3,10.013202428817749
11558,240,313,Carbohydrates,Saccharides,Disaccharides,0.0,MS1_match,FBPFZTCFMRRESA-GUCUJZIJSA-N,"InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-",OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO,C6H14O6,pos_1_1proton,182.079038168,FBPFZTCFMRRESA,Carbohydrates,Saccharides,Monosaccharides,Veronica hederifolia,502001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica hederifolia'],9,2,10.0
11559,238,-1,,,,0.68239135,ISDB,QFIHQWXKTUONPL-UHFFFAOYSA-N,"InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H2,19,20)",CCCCCCCCCCCCCC=CC=CC(N)=O,C18H33NO,,279.256214676,QFIHQWXKTUONPL,,,,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],4,0,6.729565382003784
11560,236,-1,,,,0.26226437,ISDB,,,,,,,YXJYKXQUHXHVMU,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0490574836730957
11561,231,-1,,,,0.0,MS1_match,ZMQZEEAERZPRGX-VVQKBAEHSA-N,"InChI=1S/C38H44O9/c1-23-18-19-37(6,7)32(41)21-31(45-35(42)28-14-10-8-11-15-28)24(2)20-30-33(46-36(43)29-16-12-9-13-17-29)25(3)22-38(30,47-27(5)40)34(23)44-26(4)39/h8-20,23,25,30-31,33-34H,21-22H2,1-7H3/b19-18-,24-20-/t23-,25-,30+,31-,33+,34-,38-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C38H44O9,pos_1_1sodium,644.298532988,ZMQZEEAERZPRGX,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11562,230,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,SWJWADJRDWMJQJ-INZIAJHOSA-N,"InChI=1S/C36H36O19/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-29(46)30(47)34(55-35-31(48)28(45)22(43)12-51-35)36(53-25)54-32-21(42)10-19(40)27-20(41)11-23(52-33(27)32)15-4-6-16(37)18(39)9-15/h2-11,22,25,28-31,34-40,42-43,45-48H,12-13H2,1H3/b7-3+/t22-,25-,28+,29-,30+,31-,34-,35+,36+/m1/s1",COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)ccc1O,C36H36O19,pos_1_1proton,772.1850789320001,SWJWADJRDWMJQJ,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Setaria italica,553005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Setaria'],['Setaria italica'],6,3,7.5
11563,229,-1,,,,0.26454458,ISDB,LWVOWKXWHFNTLO-UHFFFAOYSA-N,"InChI=1S/C12H21NO2/c1-10-13(14)8-4-7-12(9-13)6-3-2-5-11(12)15-10/h10-11H,2-9H2,1H3",CC1OC2CCCCC23CCC[N+]1([O-])C3,C12H21NO2,,211.157228912,LWVOWKXWHFNTLO,Alkaloids,,,Nitraria sibirica,84979.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Sapindales'],['Nitrariaceae'],['Unknown'],['Nitraria'],['Nitraria sibirica'],1,0,2.0581783056259155
11564,226,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JYEVPOCBZDNGDL-ISCJZRRASA-N,"InChI=1S/C24H30O2/c1-17-9-8-10-18(2)16-21(23-20(15-17)24(23,3)4)26-22(25)14-13-19-11-6-5-7-12-19/h5-7,10-15,20-21,23H,8-9,16H2,1-4H3/b14-13+,17-15-,18-10-/t20-,21-,23-/m0/s1",C/C1=C/[C@H]2[C@@H]([C@@H](OC(=O)/C=C/c3ccccc3)C/C(C)=C\CC1)C2(C)C,C24H30O2,pos_2MFe,350.2245802,JYEVPOCBZDNGDL,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Parthenium argentatum,928424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Parthenium argentatum'],6,2,7.0
11565,226,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JYEVPOCBZDNGDL-ISCJZRRASA-N,"InChI=1S/C24H30O2/c1-17-9-8-10-18(2)16-21(23-20(15-17)24(23,3)4)26-22(25)14-13-19-11-6-5-7-12-19/h5-7,10-15,20-21,23H,8-9,16H2,1-4H3/b14-13+,17-15-,18-10-/t20-,21-,23-/m0/s1",C/C1=C/[C@H]2[C@@H]([C@@H](OC(=O)/C=C/c3ccccc3)C/C(C)=C\CC1)C2(C)C,C24H30O2,pos_2MFe,350.2245802,JYEVPOCBZDNGDL,Terpenoids,Sesquiterpenoids,Bicyclogermacrane sesquiterpenoids,Parthenium,928426.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Parthenium'],['Unknown'],6,2,7.0
11566,224,-1,,,,0.6625934,ISDB,RXARZHLXLNWPFG-DGCLKSJQSA-N,"InChI=1S/C14H20/c1-9-5-4-6-10-7-8-11-13(12(9)10)14(11,2)3/h6,11,13H,4-5,7-8H2,1-3H3/t11-,13-/m1/s1",CC1=C2C(=CCC1)CC[C@@H]1[C@H]2C1(C)C,C14H20,,188.15650064,RXARZHLXLNWPFG,Terpenoids,Sesquiterpenoids,Aromadendrane sesquiterpenoids,Disynaphia multicrenulata,5920831.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Eupatorieae'],['Disynaphia'],['Disynaphia multicrenulata'],1,0,3.650373697280884
11567,221,45,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,0.0,MS1_match,ILTHPPRTQUWWGU-NXUBFONISA-N,"InChI=1S/C21H22O10/c22-8-17-19(27)20(28)21(9-23,31-17)30-12-5-13(25)18-14(26)7-15(29-16(18)6-12)10-1-3-11(24)4-2-10/h1-6,15,17,19-20,22-25,27-28H,7-9H2/t15-,17+,19+,20-,21-/m0/s1",O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O[C@@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(O)c21,C21H22O10,pos_1_1proton,434.121296904,ILTHPPRTQUWWGU,Shikimates and Phenylpropanoids,Flavonoids,Flavanones,Euphorbia condylocarpa,630242.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia condylocarpa'],7,3,8.5
11568,220,61,Fatty acids,Fatty esters,Fatty acyl carnitines,0.36157858,ISDB,,,,,,,KUOWDMBZTRBDRI,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.4463143348693848
11569,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper caninum,742254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper caninum'],3,3,6.468678712844849
11570,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper marginatum,147496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper marginatum'],3,3,6.468678712844849
11571,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-CMDGGOBGSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+",O=C(/C=C/c1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Macropiper methysticum,289399.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper guahamense'],3,3,6.468678712844849
11572,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-CMDGGOBGSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+",O=C(/C=C/c1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper latifolium,929914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Macropiper'],['Macropiper latifolium'],3,3,6.468678712844849
11573,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-CMDGGOBGSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+",O=C(/C=C/c1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper peltatum,1081789.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper peltatum'],3,3,6.468678712844849
11574,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-CMDGGOBGSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+",O=C(/C=C/c1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Macropiper latifolium,929914.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Macropiper'],['Macropiper latifolium'],3,3,6.468678712844849
11575,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-CMDGGOBGSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2/b9-8+",O=C(/C=C/c1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper longum,97780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper longum'],3,3,6.468678712844849
11576,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper methysticum,1081778.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper methysticum'],3,3,6.468678712844849
11577,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper taiwanense,6031788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper taiwanense'],3,3,6.468678712844849
11578,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper majusculum,814732.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper majusculum'],3,3,6.468678712844849
11579,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper hymenophyllum,1091994.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper hymenophyllum'],3,3,6.468678712844849
11580,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper schmidtii,6031622.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper schmidtii'],3,3,6.468678712844849
11581,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper argyrophyllum,993723.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper argyrophyllum'],3,3,6.468678712844849
11582,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper lolot,670206.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper lolot'],3,3,6.468678712844849
11583,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper sarmentosum,183522.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper sarmentosum'],3,3,6.468678712844849
11584,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper nigrum,472526.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper nigrum'],3,3,6.468678712844849
11585,219,327,Alkaloids,Lysine alkaloids,Piperidine alkaloids,0.49216968,ISDB,JSIGICUAXLIURX-UHFFFAOYSA-N,"InChI=1S/C13H15NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h1-3,6-9H,4-5,10-11H2",O=C(C=Cc1ccccc1)N1CCCC1,C13H15NO,,201.1153641,JSIGICUAXLIURX,Alkaloids,Lysine alkaloids,Piperidine alkaloids,Piper wightii,5699486.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Piperales'],['Piperaceae'],['Unknown'],['Piper'],['Piper wightii'],3,3,6.468678712844849
11586,218,-1,,,,0.4357283,ISDB,JIRJLWLQLDLWSW-XNDBBLGPSA-N,"InChI=1S/C25H47N3O/c1-19-10-11-21-24(3)22(20-18-25(19,21)13-12-23(20,2)29-24)26-14-7-8-16-28(6)17-9-15-27(4)5/h19-22,26H,7-18H2,1-6H3/t19-,20-,21-,22+,23-,24+,25+/m1/s1",C[C@@H]1CC[C@H]2[C@]13CC[C@@]1(C)O[C@]2(C)[C@@H](NCCCCN(C)CCCN(C)C)[C@H]1C3,C25H47N3O,,405.371913124,JIRJLWLQLDLWSW,Alkaloids,Pseudoalkaloids,,Chaetosphaeronema hispidulum,1049011.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Dothideomycetes'],['Pleosporales'],['Phaeosphaeriaceae'],['Unknown'],['Chaetosphaeronema'],['Chaetosphaeronema hispidulum'],1,0,2.742913246154785
11587,216,1232,,,,0.25557438,ISDB,,,,,,,DPCKUGPXCPIDCW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0222975015640259
11588,215,-1,,,,0.4814035,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Dasystenella acanthina,3678615.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Primnoidae'],['Unknown'],['Dasystenella'],['Dasystenella acanthina'],2,0,3.9256139993667603
11589,215,-1,,,,0.4814035,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Pacifigorgia pulchra,3677931.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Pacifigorgia'],['Pacifigorgia pulchra'],2,0,3.9256139993667603
11590,215,-1,,,,0.4814035,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Tubipora musica,552152.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Tubiporidae'],['Unknown'],['Tubipora'],['Tubipora musica'],2,0,3.9256139993667603
11591,215,-1,,,,0.4814035,ISDB,VMDXHYHOJPKFEK-IAVOFVOCSA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7+,12-6+",C/C1=C\Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Pacifigorgia media,149908.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Gorgoniidae'],['Unknown'],['Pacifigorgia'],['Pacifigorgia media'],2,0,3.9256139993667603
11592,215,-1,,,,0.4814035,ISDB,VMDXHYHOJPKFEK-HZAVHUKASA-N,"InChI=1S/C15H20O/c1-11-5-4-6-12(2)9-15-14(8-7-11)13(3)10-16-15/h6-7,10H,4-5,8-9H2,1-3H3/b11-7-,12-6+",C/C1=C/Cc2c(C)coc2C/C(C)=C/CC1,C15H20O,,216.15141526,VMDXHYHOJPKFEK,Terpenoids,Sesquiterpenoids,Germacrane sesquiterpenoids,Leminda millecra,844107.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Charcotiidae'],['Unknown'],['Leminda'],['Leminda millecra'],2,0,3.9256139993667603
11593,209,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
11594,209,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
11595,209,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Neopicrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
11596,209,562,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,SFLMUHDGSQZDOW-FAOXUISGSA-N,"InChI=1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1",COc1cc(/C=C/CO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C16H22O8,pos_1_1sodium,342.131467664,SFLMUHDGSQZDOW,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
11597,208,391,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,WRBYHCXJVBWVFG-SAKMYQHLSA-N,"InChI=1S/C19H26O3/c1-5-18(3)6-7-19(4)13-9-16(21)17(22)11(2)12(13)8-15(20)14(19)10-18/h5,9,14-15,20-22H,1,6-8,10H2,2-4H3/t14-,15-,18+,19-/m0/s1",C=C[C@]1(C)CC[C@@]2(C)c3cc(O)c(O)c(C)c3C[C@H](O)[C@@H]2C1,C19H26O3,pos_1_minus1proton1iron,302.188194692,WRBYHCXJVBWVFG,Terpenoids,Diterpenoids,Erythroxylane diterpenoids,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],7,2,8.0
11598,206,-1,,,,0.24451594,ISDB,ZDOKOBAWCCHHEY-NCEZIRKJSA-N,"InChI=1S/C25H42O5/c1-17(14-23(28)30-16-20(27)15-29-19(3)26)11-13-25(6)18(2)9-10-21-22(25)8-7-12-24(21,4)5/h8,17-18,20-21,27H,7,9-16H2,1-6H3/t17-,18-,20+,21-,25-/m1/s1",CC(=O)OC[C@H](O)COC(=O)C[C@H](C)CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C,C25H42O5,,422.303224444,ZDOKOBAWCCHHEY,Terpenoids,Diterpenoids,Halimane diterpenoids,Doris kerguelenensis,508549.0,['Eukaryota'],['Metazoa'],['Mollusca'],['Gastropoda'],['Nudibranchia'],['Dorididae'],['Unknown'],['Doris'],['Doris kerguelenensis'],4,0,4.978063762187958
11599,205,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
11600,205,-1,,,,0.0,MS1_match,XMPGMPGSZRUCAL-UHFFFAOYSA-N,"InChI=1S/C31H40O10/c1-9-15(2)28(36)41-26-16(3)12-30-17(4)10-23-24(29(23,8)14-39-19(6)33)22(25(30)35)11-21(13-38-18(5)32)27(31(26,30)37)40-20(7)34/h9,11-12,17,22-24,26-27,37H,10,13-14H2,1-8H3",CC=C(C)C(=O)OC1C(C)=CC23C(=O)C(C=C(COC(C)=O)C(OC(C)=O)C12O)C1C(CC3C)C1(C)COC(C)=O,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,XMPGMPGSZRUCAL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
11601,205,-1,,,,0.0,MS1_match,RCIQJDCADVYGLY-MFHFMUCMSA-N,"InChI=1S/C31H40O10/c1-16-13-14-30(6,7)28(36)23(34)26(40-20(5)33)18(3)25(39-19(4)32)22-24(17(2)15-31(22,38)27(16)35)41-29(37)21-11-9-8-10-12-21/h8-14,16-17,22-27,34-35,38H,3,15H2,1-2,4-7H3/b14-13+/t16-,17+,22-,23-,24+,25+,26+,27-,31-/m1/s1",C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@H](O)[C@H](C)/C=C/C(C)(C)C(=O)[C@H](O)[C@H]1OC(C)=O,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,RCIQJDCADVYGLY,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
11602,205,-1,,,,0.0,MS1_match,UXXCYRXOIGPLCA-PNURPOIQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)25(40-21(4)34)16-19(2)27(41-22(5)35)26-28(42-31(39)24-12-10-9-11-13-24)20(3)17-33(26,29(18)37)43-23(6)36/h9-15,18,20,25-28H,2,16-17H2,1,3-8H3/b15-14+/t18-,20+,25+,26-,27-,28-,33+/m0/s1",C=C1C[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C33H40O10,pos_1_1proton1ammonium,596.26214748,UXXCYRXOIGPLCA,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia hyberna,738262.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hyberna'],7,0,7.0
11603,205,-1,,,,0.0,MS1_match,YCHJWRVSZGGWFE-MQFNCDSZSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-14,16,20,25-28H,15,17H2,1-8H3/b18-14-,19-16+/t20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)C/C=C(/C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1proton1ammonium,596.26214748,YCHJWRVSZGGWFE,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11604,205,-1,,,,0.0,MS1_match,KTYYUKJLUJGKMG-JFGBKWHQSA-N,"InChI=1S/C33H40O10/c1-18-14-15-32(7,8)30(38)28(41-22(5)35)27(40-21(4)34)19(2)16-25-26(42-31(39)24-12-10-9-11-13-24)20(3)17-33(25,29(18)37)43-23(6)36/h9-16,18,20,25-28H,17H2,1-8H3/b15-14+,19-16+/t18-,20-,25+,26+,27+,28+,33-/m1/s1",CC(=O)O[C@@H]1C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@@H]1OC(C)=O,C33H40O10,pos_1_1proton1ammonium,596.26214748,KTYYUKJLUJGKMG,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11605,205,-1,,,,0.0,MS1_match,AZYFFNZMEAGTQA-HWQDMKBVSA-N,"InChI=1S/C33H40O10/c1-17-12-13-23-14-32(16-41-19(3)34)28(38)25-27(40-15-22-10-8-7-9-11-22)18(2)29(42-20(4)35)33(25,39)30(43-21(5)36)31(32,6)24(23)26(17)37/h7-13,18,25,27-30,37-39H,14-16H2,1-6H3/t18-,25-,27+,28-,29-,30-,31-,32-,33+/m1/s1",CC(=O)OC[C@@]12Cc3ccc(C)c(O)c3[C@]1(C)[C@@H](OC(C)=O)[C@]1(O)[C@H]([C@@H](OCc3ccccc3)[C@@H](C)[C@H]1OC(C)=O)[C@H]2O,C33H40O10,pos_1_1proton1ammonium,596.26214748,AZYFFNZMEAGTQA,Terpenoids,,,Euphorbia paralias,14599.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia paralias'],7,0,7.0
11606,205,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
11607,205,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
11608,205,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
11609,205,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-CFJMRMBISA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23-,24+,25+,26+,27+,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@@H]2[C@H]([C@@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
11610,205,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-KTJPEYBPSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26-,27-,29-,32-,33-/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia nivulia,115004.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia nivulia'],7,0,7.0
11611,205,-1,,,,0.0,MS1_match,VFPUAXFWMSVDLU-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(40-20(5)35)23-24(31(23,7)8)27(25(16)39-19(4)34)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(=O)c3ccccc3)[C@H](OC(C)=O)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,VFPUAXFWMSVDLU,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia canariensis,402007.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia canariensis'],7,0,7.0
11612,205,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
11613,205,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-PWEFYMAXSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18-,23+,24-,25-,26+,27+,29+,32+,33+/m1/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]([C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)/C(C)=C/[C@@]34O[C@@]3(C[C@@H](C)[C@@H]4OC(C)=O)C(=O)[C@@H]1C)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.26214748,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia portulacoides,78629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia portulacoides'],7,0,7.0
11614,205,-1,,,,0.0,MS1_match,LPVJWXJBZPCDLM-VGVAQDAQSA-N,"InChI=1S/C33H40O10/c1-16-14-33-29(41-21(6)36)17(2)15-32(33,43-33)28(37)18(3)26(39-19(4)34)23-24(31(23,7)8)27(40-20(5)35)25(16)42-30(38)22-12-10-9-11-13-22/h9-14,17-18,23-27,29H,15H2,1-8H3/b16-14+/t17-,18+,23-,24+,25+,26+,27-,29-,32-,33-/m0/s1",CC(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(C)=O)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C,C33H40O10,pos_1_1proton1ammonium,596.2621474799998,LPVJWXJBZPCDLM,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia royleana,734807.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia royleana'],7,0,7.0
11615,205,-1,,,,0.0,MS1_match,XMPGMPGSZRUCAL-NKUQUXSJSA-N,"InChI=1S/C31H40O10/c1-9-15(2)28(36)41-26-16(3)12-30-17(4)10-23-24(29(23,8)14-39-19(6)33)22(25(30)35)11-21(13-38-18(5)32)27(31(26,30)37)40-20(7)34/h9,11-12,17,22-24,26-27,37H,10,13-14H2,1-8H3/b15-9-/t17-,22+,23-,24+,26+,27-,29-,30+,31-/m1/s1",C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(COC(C)=O)[C@@H](OC(C)=O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)[C@@]1(C)COC(C)=O,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,XMPGMPGSZRUCAL,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia trigona,3912243.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia trigona'],7,0,7.0
11616,205,-1,,,,0.0,MS1_match,QDVFBKSBZKWYFT-GRMMTJMMSA-N,"InChI=1S/C31H40O10/c1-15-14-31-22(23(15)39-28(36)19-11-9-8-10-12-19)27-30(7,41-27)21(38-18(4)33)13-20(37-17(3)32)29(5,6)26(35)24(40-31)16(2)25(31)34/h8-12,15-16,20-24,26-27,35H,13-14H2,1-7H3/t15-,16-,20+,21+,22+,23-,24+,26-,27+,30+,31+/m0/s1",CC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)O[C@@H]2[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]23O[C@H]([C@H](C)C3=O)[C@H](O)C1(C)C,C31H40O10,pos_1_1proton1acetonitrile,572.26214748,QDVFBKSBZKWYFT,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11617,204,-1,,,,0.0,MS1_match,YIQVPNZGGSTDKI-SJORKVTESA-N,"InChI=1S/C19H15NO6/c21-19-15-10(1-2-12-18(15)25-8-22-12)17(26-19)16-11-6-14-13(23-7-24-14)5-9(11)3-4-20-16/h1-2,5-6,16-17,20H,3-4,7-8H2/t16-,17+/m1/s1",O=C1O[C@H]([C@@H]2NCCc3cc4c(cc32)OCO4)c2ccc3c(c21)OCO3,C19H15NO6,pos_2MFe,353.0899372,YIQVPNZGGSTDKI,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis paniculigera,6130510.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis paniculigera'],6,0,6.0
11618,204,-1,,,,0.0,MS1_match,BUZBFDBRFDGWRF-UHFFFAOYSA-N,"InChI=1S/C19H15NO6/c1-20-11-8-9-4-6-12(24-2)16(22)17(9)26-18-13(25-3)7-5-10(14(11)18)15(21)19(20)23/h4-8,22H,1-3H3",COc1ccc2c(c1O)Oc1c(OC)ccc3c1C(=C2)N(C)C(=O)C3=O,C19H15NO6,pos_2MFe,353.0899372,BUZBFDBRFDGWRF,,,,Sarcocapnos baetica,262601.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sarcocapnos'],['Sarcocapnos baetica'],6,0,6.0
11619,196,-1,,,,0.0,MS1_match,AVOFQNQPEDOPQI-NUVWHZTDSA-N,"InChI=1S/C16H20O10/c1-25-11-6-8(2-4-9(11)18)3-5-12(20)26-15(16(23)24)14(22)13(21)10(19)7-17/h2-6,10,13-15,17-19,21-22H,7H2,1H3,(H,23,24)/b5-3-/t10-,13-,14+,15-/m1/s1",COc1cc(/C=C\C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O,C16H20O10,pos_1_1sodium,372.10564684,AVOFQNQPEDOPQI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Secale cereale,553015.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Secale'],['Secale cereale'],7,0,7.0
11620,194,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,WTYMEKOAVKHRJF-DRELSCCUSA-N,"InChI=1S/C12H22O9/c1-5(15)11(6(16)2-3-13)21-12-10(19)9(18)8(17)7(4-14)20-12/h3,5-12,14-19H,2,4H2,1H3/t5-,6+,7-,8-,9+,10-,11+,12+/m1/s1",C[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CC=O,C12H22O9,pos_1_1potassium,310.126382284,WTYMEKOAVKHRJF,Carbohydrates,Saccharides,Disaccharides,Digitalis purpurea,75205.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis purpurea'],6,0,6.0
11621,194,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,WTYMEKOAVKHRJF-DRELSCCUSA-N,"InChI=1S/C12H22O9/c1-5(15)11(6(16)2-3-13)21-12-10(19)9(18)8(17)7(4-14)20-12/h3,5-12,14-19H,2,4H2,1H3/t5-,6+,7-,8-,9+,10-,11+,12+/m1/s1",C[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CC=O,C12H22O9,pos_1_1potassium,310.126382284,WTYMEKOAVKHRJF,Carbohydrates,Saccharides,Disaccharides,Digitalis lanata,893248.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis lanata'],6,0,6.0
11622,194,65,Terpenoids,Diterpenoids,Labdane diterpenoids,0.0,MS1_match,WTYMEKOAVKHRJF-DRELSCCUSA-N,"InChI=1S/C12H22O9/c1-5(15)11(6(16)2-3-13)21-12-10(19)9(18)8(17)7(4-14)20-12/h3,5-12,14-19H,2,4H2,1H3/t5-,6+,7-,8-,9+,10-,11+,12+/m1/s1",C[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CC=O,C12H22O9,pos_1_1potassium,310.126382284,WTYMEKOAVKHRJF,Carbohydrates,Saccharides,Disaccharides,Digitalis grandiflora,982770.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Digitalideae'],['Digitalis'],['Digitalis grandiflora'],6,0,6.0
11623,191,-1,,,,0.23562701,ISDB,GTBFQOGSRWBGDY-UJHNSAFVSA-N,"InChI=1S/C27H34O/c1-24(2)21-11-13-27-15-14-25(3,18-27)12-10-22(27)26(21,4)17-20(23(24)28)16-19-8-6-5-7-9-19/h5-9,14-16,21-22H,10-13,17-18H2,1-4H3/b20-16+/t21-,22+,25-,26-,27+/m1/s1",CC1(C)C(=O)/C(=C/c2ccccc2)C[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]12)C3,C27H34O,,374.260965708,GTBFQOGSRWBGDY,Terpenoids,Diterpenoids,Beyerane diterpenoids,Androstachys johnsonii,510615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Picrodendraceae'],['Unknown'],['Androstachys'],['Androstachys johnsonii'],4,0,4.942508041858673
11624,189,-1,,,,0.0,MS1_match,KZIADLALQLRZIQ-UHFFFAOYSA-N,"InChI=1S/C20H28O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-17,21H,5-8,10H2,1-4H3",CC1=C2C=C3CCC4C(C)(C)C(O)CCC4(C)C3CC2OC1=O,C20H28O3,pos_1_1proton1ethylamine,316.203844756,KZIADLALQLRZIQ,Terpenoids,Diterpenoids,Furanoabietane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11625,188,-1,,,,0.67154646,ISDB,QIMVLWYRLMXOML-JEVJTUMJSA-N,"InChI=1S/C18H28O3/c1-14(2)8-5-12-17(18(20)21)13-7-10-15(3)9-6-11-16(4)19/h8-9,13H,5-7,10-12H2,1-4H3,(H,20,21)/b15-9+,17-13-",CC(=O)CC/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)O,C18H28O3,,292.203844756,QIMVLWYRLMXOML,Terpenoids,,,Litophyton chabrolii,3679698.0,['Eukaryota'],['Metazoa'],['Cnidaria'],['Anthozoa'],['Alcyonacea'],['Nephtheidae'],['Unknown'],['Litophyton'],['Litophyton chabrolii'],2,0,4.686185836791992
11626,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
11627,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,MZNIJRAPCCELQX-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-16(23)17(24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22,24H,7-8H2,1H3/b5-3+/t12-,13-,15-,17+/m1/s1",COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.1107322199999,MZNIJRAPCCELQX,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Eremochloa ophiuroides,843929.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Eremochloa'],['Eremochloa ophiuroides'],6,3,7.5
11628,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
11629,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
11630,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
11631,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
11632,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-LWOZFZEPSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m0/s1",COc1cc(/C=C/C(=O)O[C@H]2C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.1107322199999,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon citratus,990862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon citratus'],6,3,7.5
11633,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,RAGZUCNPTLULOL-KJJWLSQTSA-N,"InChI=1S/C17H20O9/c1-25-12-6-9(2-4-10(12)18)3-5-14(20)26-13-8-17(24,16(22)23)7-11(19)15(13)21/h2-6,11,13,15,18-19,21,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,13-,15-,17+/m1/s1",COc1cc(/C=C/C(=O)O[C@@H]2C[C@](O)(C(=O)O)C[C@@H](O)[C@H]2O)ccc1O,C17H20O9,pos_1_1proton,368.11073222,RAGZUCNPTLULOL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
11634,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,UNKKGHCVDPNINL-NYCIAPANSA-N,"InChI=1S/C17H20O9/c1-25-15-12(20)7-17(24,16(22)23)8-13(15)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t12-,13-,15+,17-/m1/s1",CO[C@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1,C17H20O9,pos_1_1proton,368.11073222,UNKKGHCVDPNINL,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
11635,187,106,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,NRRBIAVXVIGMKC-AWOKGZDASA-N,"InChI=1S/C17H20O9/c1-25-17(16(23)24)7-12(20)15(22)13(8-17)26-14(21)5-3-9-2-4-10(18)11(19)6-9/h2-6,12-13,15,18-20,22H,7-8H2,1H3,(H,23,24)/b5-3+/t12-,13-,15-,17+/m1/s1",CO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1,C17H20O9,pos_1_1proton,368.11073222,NRRBIAVXVIGMKC,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Phyllostachys edulis,256629.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Arundinarieae'],['Phyllostachys'],['Phyllostachys edulis'],6,3,7.5
11636,185,271,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7574271,ISDB,,,,,,,KJUNGQXFZYMUOH,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,3.0297083854675293
11637,182,457,Alkaloids,Fatty acyls,Pyridine alkaloids,0.3973189,ISDB,,,,,,,PHUPQCFGEZCDOL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.589275598526001
11638,181,-1,,,,0.0,MS1_match,BIRSGZKFKXLSJQ-SQOUGZDYSA-N,"InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1",O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O,C6H13O10P,pos_1_1proton1isopropanol,276.024633246,BIRSGZKFKXLSJQ,Carbohydrates,Saccharides,,Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
11639,180,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,WOQBUFGEWLXSNN-YCYMDWBLSA-N,"InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(24)12(2)10-22(16,18(11)25)26-13(3)23/h9,12,14-17,19,24H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1",CC(=O)O[C@]12C[C@H](C)[C@H](O)[C@@H]1[C@H]1O[C@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C,C22H32O5,pos_1_1proton,376.2249741239999,WOQBUFGEWLXSNN,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,1,8.5
11640,180,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,WOQBUFGEWLXSNN-YCYMDWBLSA-N,"InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(24)12(2)10-22(16,18(11)25)26-13(3)23/h9,12,14-17,19,24H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1",CC(=O)O[C@]12C[C@H](C)[C@H](O)[C@@H]1[C@H]1O[C@]1(C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C,C22H32O5,pos_1_1proton,376.2249741239999,WOQBUFGEWLXSNN,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia lathyris,907417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lathyris'],8,1,8.5
11641,180,43,Terpenoids,Triterpenoids,"Lanostane, Tirucallane and Euphane triterpenoids",0.0,MS1_match,UYGFMYCDFZUFFD-YCYMDWBLSA-N,"InChI=1S/C22H32O5/c1-11-9-15-14(20(15,4)5)7-8-21(6)19(27-21)16-17(26-13(3)23)12(2)10-22(16,25)18(11)24/h9,12,14-17,19,25H,7-8,10H2,1-6H3/b11-9+/t12-,14-,15+,16+,17-,19+,21+,22+/m0/s1",CC(=O)O[C@@H]1[C@@H]2[C@H]3O[C@]3(C)CC[C@H]3[C@@H](/C=C(\C)C(=O)[C@@]2(O)C[C@@H]1C)C3(C)C,C22H32O5,pos_1_1proton,376.2249741239999,UYGFMYCDFZUFFD,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia micractina,3912390.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia micractina'],8,1,8.5
11642,179,348,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,0.6128044,ISDB,LYESOFIGCSDUHK-MBVLGPQWSA-N,"InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6,8,10,13,16-17,19H,2-3,5,7,9,11-12,14-15H2,1H3,(H,20,21)/b6-4+,10-8+,16-13+",CCCCCC(O)CCCCC/C=C/C=C/C=C/C(=O)O,C18H30O3,,294.21949482,LYESOFIGCSDUHK,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Semibalanus balanoides,374192.0,['Eukaryota'],['Metazoa'],['Arthropoda'],['Hexanauplia'],['Sessilia'],['Archaeobalanidae'],['Unknown'],['Semibalanus'],['Semibalanus balanoides'],2,3,5.9512176513671875
11643,174,1506,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.52198386,ISDB,SNGVLDNQSXBDPZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3",COc1ccc2c(c1)[nH]c1c(C(C)=O)nccc12,C14H12N2O2,,240.089877624,SNGVLDNQSXBDPZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Arenaria kansuensis,579941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Eremogoneae'],['Eremogone'],['Eremogone kansuensis'],1,3,4.587935447692871
11644,174,1506,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.52198386,ISDB,SNGVLDNQSXBDPZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3",COc1ccc2c(c1)[nH]c1c(C(C)=O)nccc12,C14H12N2O2,,240.089877624,SNGVLDNQSXBDPZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Aspergillus arenarius,396744.0,['Eukaryota'],['Fungi'],['Ascomycota'],['Eurotiomycetes'],['Eurotiales'],['Trichocomaceae'],['Unknown'],['Aspergillus'],['Aspergillus arenarius'],1,3,4.587935447692871
11645,174,1506,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.52198386,ISDB,SNGVLDNQSXBDPZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3",COc1ccc2c(c1)[nH]c1c(C(C)=O)nccc12,C14H12N2O2,,240.089877624,SNGVLDNQSXBDPZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Banisteriopsis caapi,917661.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Malpighiaceae'],['Unknown'],['Banisteriopsis'],['Banisteriopsis caapi'],1,3,4.587935447692871
11646,174,1506,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.52198386,ISDB,SNGVLDNQSXBDPZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3",COc1ccc2c(c1)[nH]c1c(C(C)=O)nccc12,C14H12N2O2,,240.089877624,SNGVLDNQSXBDPZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Trigonostemon lii,7056354.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon lii'],1,3,4.587935447692871
11647,174,1506,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.52198386,ISDB,SNGVLDNQSXBDPZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3",COc1ccc2c(c1)[nH]c1c(C(C)=O)nccc12,C14H12N2O2,,240.089877624,SNGVLDNQSXBDPZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Trigonostemon bonianus,3914674.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Trigonostemoneae'],['Trigonostemon'],['Trigonostemon bonianus'],1,3,4.587935447692871
11648,174,1506,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,0.52198386,ISDB,SNGVLDNQSXBDPZ-UHFFFAOYSA-N,"InChI=1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3",COc1ccc2c(c1)[nH]c1c(C(C)=O)nccc12,C14H12N2O2,,240.089877624,SNGVLDNQSXBDPZ,Alkaloids,Tryptophan alkaloids,Carboline alkaloids,Eremogone kansuensis,579941.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Eremogoneae'],['Eremogone'],['Eremogone kansuensis'],1,3,4.587935447692871
11649,173,947,Alkaloids,Chromanes,Chromones,0.0,MS1_match,WBYWAXJHAXSJNI-VOTSOKGWSA-N,"InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+",O=C(O)/C=C/c1ccccc1,C9H8O2,pos_2MHCH3CN,148.052429496,WBYWAXJHAXSJNI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
11650,172,-1,,,,0.0,MS1_match,YDIBJNYWGGQDRW-WEJOUWBKSA-N,"InChI=1S/C29H36O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(35-27(34)21-10-8-7-9-11-21)19(3)16-29(22,26(17)33)36-20(4)30/h7-14,17,19,22-23,25,31H,15-16H2,1-6H3/b13-12-,18-14-/t17-,19-,22+,23-,25+,29-/m1/s1",CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(/C)[C@H](O)CC(=O)C(C)(C)/C=C\[C@@H](C)C2=O,C29H36O7,pos_1_1sodium,496.246103492,YDIBJNYWGGQDRW,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11651,172,-1,,,,0.0,MS1_match,DDZFDKVXEAOLQA-HQSISCBMSA-N,"InChI=1S/C29H36O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(35-27(34)21-10-8-7-9-11-21)19(3)16-29(22,26(17)33)36-20(4)30/h7-12,14,19,22-23,25,31H,13,15-16H2,1-6H3/b17-12+,18-14+/t19-,22+,23-,25+,29-/m1/s1",CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)C/C=C(\C)C2=O,C29H36O7,pos_1_1sodium,496.2461034919999,DDZFDKVXEAOLQA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11652,171,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
11653,171,246,Terpenoids,Saccharides,Disaccharides,0.0,MS1_match,MXCOJKLBLFWFNI-UHFFFAOYSA-N,"InChI=1S/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)",C=C1CC23CC1CCC2C12CCCC(C)(C(=O)OC1)C2C3C(=O)O,C20H26O4,pos_2MMg,330.183109312,MXCOJKLBLFWFNI,Terpenoids,Diterpenoids,Gibberellins,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,1,9.5
11654,170,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
11655,170,-1,,,,0.0,MS1_match,QJVXKWHHAMZTBY-GCPOEHJPSA-N,"InChI=1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1",COc1cc(/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,QJVXKWHHAMZTBY,Terpenoids,Monoterpenoids,Menthane monoterpenoids,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
11656,170,-1,,,,0.0,MS1_match,OIIPKPGYINLROG-ZQOQDGPXSA-N,"InChI=1S/C17H24O9/c1-7-10(4-9(6-24-3)12(8(2)19)13(7)20)25-17-16(23)15(22)14(21)11(5-18)26-17/h4,11,14-18,20-23H,5-6H2,1-3H3/t11-,14-,15+,16-,17-/m1/s1",COCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)c(O)c1C(C)=O,C17H24O9,pos_1_1proton1ethylamine,372.142032348,OIIPKPGYINLROG,Polyketides,,,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],7,0,7.0
11657,169,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
11658,169,40,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,0.0,MS1_match,CWVRJTMFETXNAD-JUHZACGLSA-N,"InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1",O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O,C16H18O9,pos_1_1sodium,354.0950821559999,CWVRJTMFETXNAD,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
11659,163,1449,Fatty acids,Octadecanoids,Other Octadecanoids,0.5037008,ISDB,PQPRTPXWQQQKJC-UHFFFAOYSA-N,"InChI=1S/C18H26O4/c1-2-16(19)12-8-6-7-10-14-17(20)13-9-4-3-5-11-15-18(21)22/h6-8,10,12,14H,2-5,9,11,13,15H2,1H3,(H,21,22)",CCC(=O)C=CC=CC=CC(=O)CCCCCCCC(=O)O,C18H26O4,,306.183109312,PQPRTPXWQQQKJC,Fatty acids,Octadecanoids,Other Octadecanoids,Helianthus hirsutus,1020858.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Heliantheae'],['Helianthus'],['Helianthus hirsutus'],1,3,4.514803171157837
11660,161,589,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.0,MS1_match,MHTYQKSVNSMROU-UHFFFAOYSA-N,"InChI=1S/C22H22O2/c1-14(2)18-11-10-15(3)19-13-21(16(4)12-20(18)19)24-22(23)17-8-6-5-7-9-17/h5-14H,1-4H3",Cc1cc2c(C(C)C)ccc(C)c2cc1OC(=O)c1ccccc1,C22H22O2,pos_1_1proton1dmso,318.161979944,MHTYQKSVNSMROU,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,Heterotheca inuloides,3898475.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Astereae'],['Unknown'],['Unknown'],6,3,7.5
11661,155,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.4662198,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Guilandina bonduc,72917.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina bonduc'],4,2,6.864879250526428
11662,155,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.4662198,ISDB,QWTSMPKFTJSMFD-AZUAARDMSA-N,"InChI=1S/C20H26O/c1-13-14-6-7-18-19(2,3)9-5-10-20(18,4)16(14)12-17-15(13)8-11-21-17/h8,11-12,18H,5-7,9-10H2,1-4H3/t18-,20+/m0/s1",Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2,C20H26O,,282.198365452,QWTSMPKFTJSMFD,Terpenoids,Diterpenoids,Cassane diterpenoids,Caesalpinia crista,656774.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Unknown'],['Guilandina'],['Guilandina crista'],4,2,6.864879250526428
11663,152,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,HWXBTNAVRSUOJR-GSVOUGTGSA-N,"InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/t3-/m1/s1",O=C(O)CC[C@@H](O)C(=O)O,C5H8O5,pos_2MNa,148.037173356,HWXBTNAVRSUOJR,Fatty acids,Fatty Acids and Conjugates,Dicarboxylic acids,Euphorbia resinifera,877712.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia resinifera'],8,0,8.0
11664,152,116,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,OCIAPZWBJQRATB-UALZLMCPSA-N,"InChI=1S/C10H16O10/c11-2-4-6(14)7(15)8(16)10(20-4)19-3(9(17)18)1-5(12)13/h3-4,6-8,10-11,14-16H,1-2H2,(H,12,13)(H,17,18)/t3-,4+,6+,7-,8+,10+/m0/s1",O=C(O)C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C10H16O10,pos_1_1sodium,296.074346712,OCIAPZWBJQRATB,Fatty acids,Fatty acyl glycosides,Fatty acyl glycosides of mono- and disaccharides,Euphorbia pereskiifolia,1028483.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia sulcata'],8,0,8.0
11665,150,-1,,,,0.21988073,ISDB,JVHYYZMBYJJGJM-ZMDGZUOKSA-N,"InChI=1S/C40H54O4/c1-29(17-13-19-31(3)21-22-35(42)38(9)26-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)27-34(44-40)28-39(40,10)43/h11-24,34,43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,38-,39+,40+/m0/s1",CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O,C40H54O4,,598.402210208,JVHYYZMBYJJGJM,Terpenoids,Carotenoids (C40),"Carotenoids (C40, β-κ)",Capsicum annuum,473836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Capsiceae'],['Capsicum'],['Capsicum annuum'],6,0,6.879522919654846
11666,149,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_2MHCH3CN,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Gossypium hirsutum,854480.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Gossypium'],['Gossypium hirsutum'],6,3,7.5
11667,149,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_2MHCH3CN,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Tilia platyphyllos,1067735.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Tilia'],['Tilia platyphyllos'],6,3,7.5
11668,149,62,Fatty acids,Fatty esters,Branched fatty acids,0.0,MS1_match,GHVNFZFCNZKVNT-UHFFFAOYSA-N,"InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)",CCCCCCCCCC(=O)O,C10H20O2,pos_2MHCH3CN,172.14632988,GHVNFZFCNZKVNT,Fatty acids,Fatty Acids and Conjugates,Branched fatty acids,Malva sylvestris,121966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Malva'],['Malva sylvestris'],6,3,7.5
11669,146,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_1_1proton1ethylamine,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11670,146,-1,,,,0.0,MS1_match,CZYPGTRKJFYXLT-UHFFFAOYSA-N,"InChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3",CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,C19H32O8,pos_1_1proton1ethylamine,388.209717984,CZYPGTRKJFYXLT,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11671,145,641,Fatty acids,Fatty amides,Pregnane steroids,0.5130757,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Pachysandra terminalis,314708.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Pachysandra'],['Pachysandra terminalis'],1,3,4.552302837371826
11672,145,641,Fatty acids,Fatty amides,Pregnane steroids,0.5130757,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca ruscifolia,437379.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca ruscifolia'],1,3,4.552302837371826
11673,145,641,Fatty acids,Fatty amides,Pregnane steroids,0.5130757,ISDB,QTNGLMWAVBOBLJ-RCFZRFIHSA-N,"InChI=1S/C23H41NO2/c1-14(24(4)5)16-8-9-17-15-6-7-19-21(26)20(25)11-13-23(19,3)18(15)10-12-22(16,17)2/h14-21,25-26H,6-13H2,1-5H3/t14-,15-,16+,17-,18-,19-,20-,21-,22+,23+/m0/s1",C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C,C23H41NO2,,363.313729552,QTNGLMWAVBOBLJ,Terpenoids,Steroids,Pregnane steroids,Sarcococca hookeriana,1098650.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Buxales'],['Buxaceae'],['Unknown'],['Sarcococca'],['Sarcococca hookeriana'],1,3,4.552302837371826
11674,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,BMLIIPOXVWESJG-LMBCONBSSA-N,"InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3[C@H]2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,BMLIIPOXVWESJG,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11675,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,QYCJAWYDGRZSTO-UHFFFAOYSA-N,"InChI=1S/C25H22O10/c1-33-17-6-10(2-4-14(17)28)23-13(9-26)19-12(3-5-15(29)25(19)35-23)24-22(32)21(31)20-16(30)7-11(27)8-18(20)34-24/h2-8,13,22-24,26-30,32H,9H2,1H3",COc1cc(C2Oc3c(O)ccc(C4Oc5cc(O)cc(O)c5C(=O)C4O)c3C2CO)ccc1O,C25H22O10,pos_1_1proton,482.121296904,QYCJAWYDGRZSTO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum,650193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Unknown'],7,2,8.0
11676,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,QYCJAWYDGRZSTO-UHFFFAOYSA-N,"InChI=1S/C25H22O10/c1-33-17-6-10(2-4-14(17)28)23-13(9-26)19-12(3-5-15(29)25(19)35-23)24-22(32)21(31)20-16(30)7-11(27)8-18(20)34-24/h2-8,13,22-24,26-30,32H,9H2,1H3",COc1cc(C2Oc3c(O)ccc(C4Oc5cc(O)cc(O)c5C(=O)C4O)c3C2CO)ccc1O,C25H22O10,pos_1_1proton,482.121296904,QYCJAWYDGRZSTO,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11677,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,KDMGQPNVTKUNHV-HKTJVKLFSA-N,"InChI=1S/C25H22O10/c1-32-16-4-2-11(6-14(16)28)24-20(10-26)33-17-5-3-12(7-18(17)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1",COc1ccc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)cc1O,C25H22O10,pos_1_1proton,482.121296904,KDMGQPNVTKUNHV,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11678,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,CYGIJEJDYJOUAN-JSGXPVSSSA-N,"InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1",COc1cc([C@@H]2[C@H]3CO[C@@]4(O)C(=O)[C@@H]2C=C([C@H]2Oc5cc(O)cc(O)c5C(=O)[C@@H]2O)[C@@H]34)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,CYGIJEJDYJOUAN,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum eburneum,1097640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum eburneum'],7,2,8.0
11679,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,CYGIJEJDYJOUAN-JSGXPVSSSA-N,"InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1",COc1cc([C@@H]2[C@H]3CO[C@@]4(O)C(=O)[C@@H]2C=C([C@H]2Oc5cc(O)cc(O)c5C(=O)[C@@H]2O)[C@@H]34)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,CYGIJEJDYJOUAN,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11680,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,FDQAOULAVFHKBX-MNPDLOSFSA-N,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24+,25+/m0/s1",COc1cc([C@H]2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3O[C@H]2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,FDQAOULAVFHKBX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11681,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,OZUNHAWIRUDPHS-WAABAYLZSA-N,"InChI=1S/C25H22O10/c1-32-15-5-12(4-13(27)7-15)24-20(10-26)33-18-6-11(2-3-17(18)34-24)25-23(31)22(30)21-16(29)8-14(28)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23-,24-,25+/m0/s1",COc1cc(O)cc([C@@H]2Oc3ccc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3O[C@H]2CO)c1,C25H22O10,pos_1_1proton,482.121296904,OZUNHAWIRUDPHS,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11682,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,FDQAOULAVFHKBX-UHFFFAOYSA-N,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-18-7-12(3-5-16(18)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3",COc1cc(C2Oc3ccc(C4Oc5cc(O)cc(O)c5C(=O)C4O)cc3OC2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,FDQAOULAVFHKBX,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum,650193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Unknown'],7,2,8.0
11683,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,SEBFKMXJBCUCAI-HKTJVKLFSA-N,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1",COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,SEBFKMXJBCUCAI,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum eburneum,1097640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum eburneum'],7,2,8.0
11684,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,SEBFKMXJBCUCAI-UHFFFAOYSA-N,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3",COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,SEBFKMXJBCUCAI,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum,650193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Unknown'],7,2,8.0
11685,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,SEBFKMXJBCUCAI-HKTJVKLFSA-N,"InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3/t20-,23+,24-,25-/m1/s1",COc1cc([C@H]2Oc3cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,SEBFKMXJBCUCAI,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11686,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,BMLIIPOXVWESJG-LMBCONBSSA-N,"InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22+,23+,24-/m1/s1",COc1cc([C@@H]2Oc3c(O)cc([C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O)cc3[C@H]2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,BMLIIPOXVWESJG,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum eburneum,1097640.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum eburneum'],7,2,8.0
11687,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,BMLIIPOXVWESJG-UHFFFAOYSA-N,"InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3",COc1cc(C2Oc3c(O)cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)cc3C2CO)ccc1O,C25H22O10,pos_1_1proton,482.1212969039999,BMLIIPOXVWESJG,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum,650193.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Unknown'],7,2,8.0
11688,144,1154,Shikimates and Phenylpropanoids,Flavonoids,Cinnamic acids and derivatives,0.0,MS1_match,KSGSAKWZAOLLBV-UHFFFAOYSA-N,"InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-12-8-34-25(32)13(12)7-11(19(18)24(25)31)23-22(30)21(29)20-15(28)5-10(26)6-17(20)35-23/h2-6,12-13,18,22-23,26-28,30,32H,7-8H2,1H3",COc1cc(C2C3=C(C4Oc5cc(O)cc(O)c5C(=O)C4O)CC4C2COC4(O)C3=O)ccc1O,C25H22O10,pos_1_1proton,482.121296904,KSGSAKWZAOLLBV,Shikimates and Phenylpropanoids,Flavonoids,Dihydroflavonols,Silybum marianum,650188.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Silybum'],['Silybum marianum'],7,2,8.0
11689,143,706,Terpenoids,Sesquiterpenoids,Cadinane sesquiterpenoids,0.60306007,ISDB,GAMKIMZLPVTBDV-XBZKDHOBSA-N,"InChI=1S/C16H20O6/c1-6-5-8(17)10-7(2)15(20)22-13(10)11-9(6)12(18)14(19)16(11,3)21-4/h8,10-13,17-18H,2,5H2,1,3-4H3/t8-,10+,11-,12+,13-,16+/m0/s1",C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)CC(C)=C1[C@@H](O)C(=O)[C@](C)(OC)[C@@H]12,C16H20O6,,308.12598836,GAMKIMZLPVTBDV,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ajania fastigiata,729288.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Ajania'],['Ajania fastigiata'],4,2,7.412240266799927
11690,140,74,Amino acids and Peptides,Small peptides,Aminoacids,0.26867488,ISDB,,,,,,,BNQQSSNRDHOSCW,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.0746995210647583
11691,137,462,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Festuca argentina,232597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca argentina'],6,3,7.5
11692,137,462,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,0.0,MS1_match,QLJNETOQFQXTLI-WMYFGKAISA-N,"InChI=1S/C26H32O11/c1-32-18-7-12(3-5-16(18)28)24-14-10-35-25(15(14)11-34-24)13-4-6-17(19(8-13)33-2)36-26-23(31)22(30)21(29)20(9-27)37-26/h3-8,14-15,20-31H,9-11H2,1-2H3/t14-,15-,20+,21+,22-,23+,24+,25+,26+/m0/s1",COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)ccc1O,C26H32O11,pos_1_1proton1ammonium,520.194461844,QLJNETOQFQXTLI,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Festuca argentina,232597.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Poeae'],['Festuca'],['Festuca argentina'],6,3,7.5
11693,135,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-YRIDSSQKSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C21H18O11,pos_1_1proton1isopropanol,446.08491139599977,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],7,0,7.0
11694,135,-1,,,,0.0,MS1_match,JBFOLLJCGUCDQP-YRIDSSQKSA-N,"InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m1/s1",O=C(O)[C@@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@@H](O)[C@H](O)[C@H]1O,C21H18O11,pos_1_1proton1isopropanol,446.08491139599977,JBFOLLJCGUCDQP,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Veronica spicata,79022.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica spicata'],7,0,7.0
11695,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Lamprocapnos spectabilis,928569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Lamprocapnos'],['Lamprocapnos spectabilis'],6,3,7.5
11696,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria barnolae,5503556.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria barnolae'],6,3,7.5
11697,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Sanguinaria canadensis,1014682.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Sanguinaria'],['Sanguinaria canadensis'],6,3,7.5
11698,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Chelidonium majus,957283.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Chelidonium'],['Chelidonium majus'],6,3,7.5
11699,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Fumaria parviflora,3944888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Fumaria'],['Fumaria parviflora'],6,3,7.5
11700,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Stylophorum diphyllum,565716.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Stylophorum'],['Stylophorum diphyllum'],6,3,7.5
11701,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Bocconia frutescens,1030285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Bocconia'],['Bocconia frutescens'],6,3,7.5
11702,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Argemone ochroleuca,266404.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Argemone'],['Argemone ochroleuca'],6,3,7.5
11703,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hylomecon japonicum,1086765.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hylomecon'],['Hylomecon vernalis'],6,3,7.5
11704,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Hylomecon japonica,1030293.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Hylomecon'],['Hylomecon japonica'],6,3,7.5
11705,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis stricta,5728001.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis stricta'],6,3,7.5
11706,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,YZRQUTZNTDAYPJ-FQEVSTJZSA-N,"InChI=1S/C20H15NO5/c1-21-18-12(3-2-10-6-15-16(7-13(10)18)25-8-24-15)11-4-5-14-19(26-9-23-14)17(11)20(21)22/h2-7,20,22H,8-9H2,1H3/t20-/m0/s1",CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1O)OCO3,C20H15NO5,pos_1_1proton1methanol,349.09502258,YZRQUTZNTDAYPJ,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Glaucium fimbrilligerum,5232169.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Glaucium'],['Glaucium fimbrilligerum'],6,3,7.5
11707,134,30,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,0.0,MS1_match,KUCVHCLYIAWDLU-OZOXKJRCSA-N,"InChI=1S/C21H19NO6/c1-21-12-3-4-13-18(28-9-25-13)17(12)20(24)22(2)19(21)11-7-15-14(26-8-27-15)5-10(11)6-16(21)23/h3-5,7,16,19,23H,6,8-9H2,1-2H3/t16-,19-,21-/m1/s1",CN1C(=O)c2c(ccc3c2OCO3)[C@]2(C)[C@H](O)Cc3cc4c(cc3[C@@H]12)OCO4,C21H19NO6,pos_1_1proton,381.121237328,KUCVHCLYIAWDLU,Alkaloids,Tyrosine alkaloids,Isoquinoline alkaloids,Corydalis incisa,900631.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis incisa'],6,3,7.5
11708,132,-1,,,,0.0,MS1_match,OYHQOLUKZRVURQ-IXWMQOLASA-N,"InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9+",CCCCC/C=C\C/C=C/CCCCCCCC(=O)O,C18H32O2,pos_1_1proton1methanol,280.240230264,OYHQOLUKZRVURQ,Fatty acids,Fatty Acids and Conjugates,Unsaturated fatty acids,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
11709,130,-1,,,,0.0,MS1_match,LYGRISUQIZNHGM-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.0853053199998,LYGRISUQIZNHGM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia jolkinii,252644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia jolkinii'],8,0,8.0
11710,130,-1,,,,0.0,MS1_match,LYGRISUQIZNHGM-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.0853053199998,LYGRISUQIZNHGM,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia jolkinii,252644.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia jolkinii'],8,0,8.0
11711,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,8.0
11712,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,8.0
11713,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,0,8.0
11714,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia thymifolia,851843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia thymifolia'],8,0,8.0
11715,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia chamaesyce,196862.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia chamaesyce'],8,0,8.0
11716,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia franchetii,968992.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia franchetii'],8,0,8.0
11717,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-WRMYNCHHSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20-/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia ferganensis,3912420.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ferganensis'],8,0,8.0
11718,130,-1,,,,0.0,MS1_match,LRRLFFLVWQTQGZ-IVABAYMNSA-N,"InChI=1S/C20H20O14/c21-5-12-15(28)16(33-18(29)6-1-8(22)13(26)9(23)2-6)17(20(31)32-12)34-19(30)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-28,31H,5H2/t12-,15-,16+,17-,20+/m1/s1",O=C(O[C@@H]1[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(O)c(O)c(O)c1,C20H20O14,pos_1_1proton1ammonium,484.08530532,LRRLFFLVWQTQGZ,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Euphorbia thymifolia,851843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia thymifolia'],8,0,8.0
11719,129,-1,,,,0.0,MS1_match,FOTVKQTYZXWNAO-KXKLIONSSA-N,"InChI=1S/C27H36O13/c1-34-17-5-12(6-18(35-2)22(17)31)25-14(9-28)15(10-38-27-24(33)21(30)16(29)11-39-27)26(40-25)13-7-19(36-3)23(32)20(8-13)37-4/h5-8,14-16,21,24-33H,9-11H2,1-4H3/t14-,15-,16+,21-,24+,25+,26+,27+/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CO)cc(OC)c1O,C27H36O13,pos_1_1sodium,568.2155912119999,FOTVKQTYZXWNAO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Oryza sativa,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
11720,129,-1,,,,0.0,MS1_match,FOTVKQTYZXWNAO-KXKLIONSSA-N,"InChI=1S/C27H36O13/c1-34-17-5-12(6-18(35-2)22(17)31)25-14(9-28)15(10-38-27-24(33)21(30)16(29)11-39-27)26(40-25)13-7-19(36-3)23(32)20(8-13)37-4/h5-8,14-16,21,24-33H,9-11H2,1-4H3/t14-,15-,16+,21-,24+,25+,26+,27+/m0/s1",COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2CO)cc(OC)c1O,C27H36O13,pos_1_1sodium,568.2155912119999,FOTVKQTYZXWNAO,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Oryza aristata,709894.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Oryzeae'],['Oryza'],['Oryza sativa'],6,0,6.0
11721,127,370,Fatty acids,Glycerophospholipids,Glycerophosphocholines,0.7033857,ISDB,NYFGVUCTLCDUFF-SKCDSABHSA-N,"InChI=1S/C25H52NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30-5)23-31-21-24(27)22-33-34(28,29)32-20-19-26(2,3)4/h16-17,24-25,27H,6-15,18-23H2,1-5H3/t24-,25?/m0/s1",CCCCCCCCCCCC=CCC(COC[C@H](O)COP(=O)([O-])OCC[N+](C)(C)C)OC,C25H52NO7P,,509.348139634,NYFGVUCTLCDUFF,Fatty acids,Glycerophospholipids,Glycerophosphocholines,Spirastrella abata,2839199.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Clionaida'],['Spirastrellidae'],['Unknown'],['Spirastrella'],['Spirastrella abata'],0,3,4.31354284286499
11722,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,0,6.0
11723,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago lacustris,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,0,6.0
11724,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
11725,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago lanceolata,376074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lanceolata'],6,0,6.0
11726,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago coronopus,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,0,6.0
11727,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago lacustris,989049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago coronopus'],6,0,6.0
11728,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
11729,126,-1,,,,0.0,MS1_match,MACFXELYCBWKGT-VFTFQOQOSA-N,"InChI=1S/C27H24O18/c28-7-17-21(38)22(43-24(39)8-1-11(29)18(35)12(30)2-8)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2/t17-,21-,22+,23-,27+/m1/s1",O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1,C27H24O18,pos_1_1proton1isopropanol,636.0962639279999,MACFXELYCBWKGT,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Gallotannins,Plantago lanceolata,376074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lanceolata'],6,0,6.0
11730,125,18,Alkaloids,Ornithine alkaloids,Polyamines,0.5622118,ISDB,CJHDBEPXEKGBDW-VMPITWQZSA-N,"InChI=1S/C13H18N2O2/c14-9-1-2-10-15-13(17)8-5-11-3-6-12(16)7-4-11/h3-8,16H,1-2,9-10,14H2,(H,15,17)/b8-5+",NCCCCNC(=O)/C=C/c1ccc(O)cc1,C13H18N2O2,,234.136827816,CJHDBEPXEKGBDW,Alkaloids,Ornithine alkaloids,Polyamines,Cenchrus americanus,1079449.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Cenchrus'],['Cenchrus americanus'],6,3,9.748847246170044
11731,124,-1,,,,0.23494233,ISDB,RLSITCAUHUNHRO-BGWRNRDFSA-N,"InChI=1S/C14H24O10/c1-6(2)3-14(13(21)22,4-8(16)17)24-12-11(20)10(19)9(18)7(5-15)23-12/h6-7,9-12,15,18-20H,3-5H2,1-2H3,(H,16,17)(H,21,22)/t7-,9-,10+,11-,12+,14-/m1/s1",CC(C)C[C@](CC(=O)O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O,C14H24O10,,352.136946968,RLSITCAUHUNHRO,,,,Dactylorhiza hatagirea,3971505.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Orchidaceae'],['Orchideae'],['Dactylorhiza'],['Dactylorhiza hatagirea'],4,0,4.9397693276405334
11732,122,1504,Shikimates and Phenylpropanoids,Coumarins,Flavones,0.7062983,ISDB,HOEVRHHMDJKUMZ-UHFFFAOYSA-N,"InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3",COc1cc2ccc(=O)oc2c(OC)c1O,C11H10O5,,222.05282342,HOEVRHHMDJKUMZ,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Euphorbia lagascae,22595.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia lagascae'],8,2,11.825193166732788
11733,118,857,Terpenoids,Steroids,Spirostane steroids,0.0,MS1_match,CRMXIJILTLLGMR-PZPWOCDFSA-N,"InChI=1S/C21H26O7/c1-25-17-7-12(4-5-16(17)23)6-14-11-28-21(15(14)10-22)13-8-18(26-2)20(24)19(9-13)27-3/h4-5,7-9,14-15,21-24H,6,10-11H2,1-3H3/t14-,15-,21+/m1/s1",COc1cc(C[C@@H]2CO[C@@H](c3cc(OC)c(O)c(OC)c3)[C@@H]2CO)ccc1O,C21H26O7,pos_1_1proton1isopropanol,390.1678531719999,CRMXIJILTLLGMR,Shikimates and Phenylpropanoids,Lignans,Furanoid lignans,Nierembergia aristata,474433.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Unknown'],['Nierembergia'],['Nierembergia aristata'],6,0,6.0
11734,116,-1,,,,0.22605076,ISDB,,,,,,,QROZULHUZNCVRS,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.9042030572891235
11735,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Melica uniflora,138132.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Meliceae'],['Melica'],['Melica uniflora'],6,0,6.0
11736,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon flexuosus,186966.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon flexuosus'],6,0,6.0
11737,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,RRAFCDWBNXTKKO-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3",C=CCc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,RRAFCDWBNXTKKO,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon nardus,913226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon nardus'],6,0,6.0
11738,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BJIOGJUNALELMI-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",CC=Cc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon martini,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
11739,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BJIOGJUNALELMI-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",CC=Cc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Cymbopogon martinii,186971.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Cymbopogon'],['Cymbopogon martinii'],6,0,6.0
11740,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,BJIOGJUNALELMI-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3",CC=Cc1ccc(O)c(OC)c1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,BJIOGJUNALELMI,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Imperata cylindrica,740074.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Imperata'],['Imperata cylindrica'],6,0,6.0
11741,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,DULCUDSUACXJJC-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3",CCOC(=O)Cc1ccccc1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,DULCUDSUACXJJC,Fatty acids,Fatty esters,Wax monoesters,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
11742,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,OFJWFSNDPCAWDK-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",CCC(C(=O)O)c1ccccc1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,OFJWFSNDPCAWDK,,,,Zea mays,605194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Zea'],['Zea mays'],6,0,6.0
11743,113,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,QUMXDOLUJCHOAY-UHFFFAOYSA-N,"InChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3",CC(=O)OC(C)c1ccccc1,C10H12O2,pos_1_1proton1isopropanol,164.083729624,QUMXDOLUJCHOAY,Shikimates and Phenylpropanoids,,,Chrysopogon zizanioides,281780.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Andropogoneae'],['Chrysopogon'],['Chrysopogon zizanioides'],6,0,6.0
11744,112,285,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.0,MS1_match,HVGLWBMWGLOBHA-KETMJRJWSA-N,"InChI=1S/C27H30O16/c28-6-15-19(33)22(36)24(38)26(41-15)18-11(32)5-14-17(21(18)35)10(31)4-13(40-14)8-1-2-12(9(30)3-8)42-27-25(39)23(37)20(34)16(7-29)43-27/h1-5,15-16,19-20,22-30,32-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1",O=c1cc(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12,C27H30O16,pos_1_1proton,610.15338488,HVGLWBMWGLOBHA,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Cerastium arvense,1001432.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Caryophyllales'],['Caryophyllaceae'],['Alsineae'],['Cerastium'],['Cerastium arvense'],8,3,9.5
11745,108,11,,,,0.3784014,ISDB,,,,,,,XPJRQAIZZQMSCM,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.5136055946350098
11746,107,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.6316244,ISDB,XQZVZULJKVALRI-UHFFFAOYSA-N,"InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3",C[S+]([O-])CCCCCCN=C=S,C8H15NOS2,,205.0595061,XQZVZULJKVALRI,,,,Eutrema japonicum,185264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema japonicum'],3,0,5.5264976024627686
11747,107,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.6316244,ISDB,XQZVZULJKVALRI-UHFFFAOYSA-N,"InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3",C[S+]([O-])CCCCCCN=C=S,C8H15NOS2,,205.0595061,XQZVZULJKVALRI,,,,Sabia japonica,8373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Sabiaceae'],['Unknown'],['Sabia'],['Sabia japonica'],3,0,5.5264976024627686
11748,107,54,Alkaloids,Nicotinic acid alkaloids,Pyridine alkaloids,0.6316244,ISDB,XQZVZULJKVALRI-LBPRGKRZSA-N,"InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3/t12-/m0/s1",C[S@+]([O-])CCCCCCN=C=S,C8H15NOS2,,205.0595061,XQZVZULJKVALRI,,,,Hesperis matronalis,281533.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Hesperideae'],['Hesperis'],['Hesperis matronalis'],3,0,5.5264976024627686
11749,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,JPJJVAXMKUXVAG-NUNXZZDCSA-N,"InChI=1S/C15H20O5/c1-8-6-11-10(9(2)13(16)19-11)7-12-14(3,17)4-5-15(8,12)20-18/h10-12,17-18H,1-2,4-7H2,3H3/t10-,11+,12+,14-,15+/m1/s1",C=C1C(=O)O[C@H]2CC(=C)[C@@]3(OO)CC[C@@](C)(O)[C@@H]3C[C@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,JPJJVAXMKUXVAG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
11750,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,XJUFXNXZZRHROZ-SSHUMNHMSA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9+,10-,12+,13+,15+/m1/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@]2(O)CO)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,XJUFXNXZZRHROZ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
11751,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LTPWXJPRGRSAIO-IUBWNAFWSA-N,"InChI=1S/C15H20O5/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,20-18)7-12(9)19-13(8)16/h4,9,11-12,17-18H,1,5-7H2,2-3H3/t9-,11+,12-,14-,15+/m1/s1",C=C1C(=O)O[C@@H]2C[C@](C)(OO)C3=CC[C@@](C)(O)[C@H]3C[C@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,LTPWXJPRGRSAIO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Klasea latifolia,657106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Klasea'],['Klasea latifolia'],7,3,8.5
11752,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,YXNSRUQZUQFDQO-HZTOAZILSA-N,"InChI=1S/C15H20O5/c1-7-3-4-9-8(2)14(18)20-13(9)12-10(7)5-11(17)15(12,19)6-16/h8-10,12-13,16,19H,1,3-6H2,2H3/t8-,9-,10-,12-,13-,15+/m0/s1",C=C1CC[C@@H]2[C@H](OC(=O)[C@H]2C)[C@@H]2[C@H]1CC(=O)[C@]2(O)CO,C15H20O5,pos_1_1proton1ammonium,280.13107374,YXNSRUQZUQFDQO,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
11753,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
11754,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
11755,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cornigera,77866.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cornigera'],7,3,8.5
11756,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,LWOZDCFSMDBOSA-AQEIEYEASA-N,"InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2/t9-,10+,11-,12-,13-,15-/m0/s1",C=C1[C@@H]2[C@H]3OC(=O)[C@](O)(CO)[C@@H]3CCC(=C)[C@@H]2C[C@@H]1O,C15H20O5,pos_1_1proton1ammonium,280.13107374,LWOZDCFSMDBOSA,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara sibthorpiana,1095569.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara sibthorpiana'],7,3,8.5
11757,106,117,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,ZIYAVSIQJMDPSW-IWFYUHSVSA-N,"InChI=1S/C15H20O5/c1-5-8-4-9(16)6(2)10(8)14-11(13(18)12(5)17)7(3)15(19)20-14/h6-8,10-14,17-18H,1,4H2,2-3H3/t6-,7+,8+,10+,11-,12+,13-,14-/m1/s1",C=C1[C@H](O)[C@H](O)[C@@H]2[C@H](OC(=O)[C@H]2C)[C@H]2[C@H](C)C(=O)C[C@@H]12,C15H20O5,pos_1_1proton1ammonium,280.13107374,ZIYAVSIQJMDPSW,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
11758,97,-1,,,,0.2905747,ISDB,,,,,,,PHARQEHVJVOTOL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.1622987985610962
11759,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-UUIPYTTISA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8-/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.2723182399999,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia triangularis,411388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia triangularis'],7,0,7.0
11760,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-UUIPYTTISA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8-/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.2723182399999,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia caerulescens,136212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia caerulescens'],7,0,7.0
11761,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-UUIPYTTISA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8-/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.2723182399999,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia ledienii,292592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ledienii'],7,0,7.0
11762,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-YLWQXWQNSA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8+/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(\C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.27231824,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia cooperi,827130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia cooperi'],7,0,7.0
11763,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-UUIPYTTISA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8-/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.2723182399999,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia triangularis,411388.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia triangularis'],7,0,7.0
11764,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-UUIPYTTISA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8-/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.2723182399999,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia caerulescens,136212.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia caerulescens'],7,0,7.0
11765,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-UUIPYTTISA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8-/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(/C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.2723182399999,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia ledienii,292592.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ledienii'],7,0,7.0
11766,93,-1,,,,0.0,MS1_match,ZDINMEUMDNDKPM-YLWQXWQNSA-N,"InChI=1S/C29H40O8/c1-8-16(4)25(33)37-28-11-18(6)29(35)20(22(28)26(28,7)14-36-24(32)15(2)3)10-19(13-30)12-27(34)21(29)9-17(5)23(27)31/h8-10,15,18,20-22,30,34-35H,11-14H2,1-7H3/b16-8+/t18-,20+,21-,22-,26-,27-,28+,29-/m1/s1",C/C=C(\C)C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1[C@@]2(C)COC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.27231824,ZDINMEUMDNDKPM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia cooperi,827130.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia cooperi'],7,0,7.0
11767,93,-1,,,,0.0,MS1_match,LRHZYZQQBGOKEN-YZQLQQNVSA-N,"InChI=1S/C29H36O8/c1-16-12-21-25(36-27(35)20-10-8-7-9-11-20)18(3)15-29(21,37-19(4)30)26(34)17(2)13-23(32)28(5,6)24(33)14-22(16)31/h7-13,18,21-23,25,31-32H,14-15H2,1-6H3/b16-12+,17-13+/t18-,21-,22+,23-,25-,29+/m0/s1",CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)[C@@H](O)/C=C(\C)C2=O,C29H36O8,pos_1_1proton1ethylamine,512.2410181119999,LRHZYZQQBGOKEN,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11768,93,-1,,,,0.0,MS1_match,WFWMFGZANWSYAM-UHFFFAOYSA-N,"InChI=1S/C29H40O8/c1-9-15(4)25(33)36-13-26(8)22-20-21(30)17(6)11-27(34)19(10-16(5)23(27)31)29(20,35)18(7)12-28(22,26)37-24(32)14(2)3/h9-11,14,18-22,30,34-35H,12-13H2,1-8H3",CC=C(C)C(=O)OCC1(C)C2C3C(O)C(C)=CC4(O)C(=O)C(C)=CC4C3(O)C(C)CC21OC(=O)C(C)C,C29H40O8,pos_1_1proton1acetonitrile,516.2723182399999,WFWMFGZANWSYAM,Terpenoids,Diterpenoids,Tetracyclic diterpenoids,Euphorbia grandicornis,857361.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia grandicornis'],7,0,7.0
11769,93,-1,,,,0.0,MS1_match,DQMPCOCRFCCCNZ-UHFFFAOYSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24-25,27-28,36H,16-17H2,1-7H3",CC(=O)OC1CC(=O)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC(C)C(OC(=O)c3ccccc3)C2C=C1C,C31H40O8,pos_1_1proton1ammonium,540.27231824,DQMPCOCRFCCCNZ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11770,93,-1,,,,0.0,MS1_match,OQLAYVOSMBSWSF-FOFWAKMFSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(35)16-25(34)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,39-22(5)33)28(18)37-21(4)32/h8-15,18,20,24-25,27-28,34H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24+,25-,27+,28-,31-/m1/s1",CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]12OC(C)=O,C31H40O8,pos_1_1proton1ammonium,540.27231824,OQLAYVOSMBSWSF,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11771,93,-1,,,,0.0,MS1_match,RHPFLGFCKKCWKG-UHFFFAOYSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,28(18)35)39-22(5)33/h8-15,18,20,24-25,27-28,35H,16-17H2,1-7H3",CC(=O)OC1CC(=O)C(C)(C)C=CC(C)C(O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C2C=C1C,C31H40O8,pos_1_1proton1ammonium,540.27231824,RHPFLGFCKKCWKG,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11772,93,-1,,,,0.0,MS1_match,GITCJXFZRWGKLJ-GWXNUTEUSA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(34)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24,26-28,36H,16-17H2,1-7H3/b14-13+,19-15+/t18-,20-,24-,26+,27-,28-,31+/m0/s1",CC(=O)O[C@@H]1CC(=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C,C31H40O8,pos_1_1proton1ammonium,540.27231824,GITCJXFZRWGKLJ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11773,93,-1,,,,0.0,MS1_match,YUDUPXHLRNLYOP-IVRZHYJISA-N,"InChI=1S/C31H40O8/c1-18-13-14-24(34)30(6,7)16-15-19(2)28(38-22(5)33)31(36)17-20(3)27(25(31)26(18)37-21(4)32)39-29(35)23-11-9-8-10-12-23/h8-12,15-16,19-20,25-28,36H,1,13-14,17H2,2-7H3/b16-15+/t19-,20+,25+,26+,27+,28-,31-/m1/s1",C=C1CCC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O,C31H40O8,pos_1_1proton1ammonium,540.27231824,YUDUPXHLRNLYOP,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia guyoniana,38550.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia guyoniana'],7,0,7.0
11774,93,-1,,,,0.0,MS1_match,UAKCWZDVHJZVRU-DFICWMDASA-N,"InChI=1S/C31H40O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(39-29(35)23-11-9-8-10-12-23)19(2)15-24-27(38-22(5)33)20(3)17-31(24,36)28(18)34/h8-13,15,20,24-27,36H,14,16-17H2,1-7H3/b18-13+,19-15+/t20-,24-,25+,26+,27-,31+/m0/s1",CC(=O)O[C@H]1[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)C[C@@H](OC(=O)c3ccccc3)/C(C)=C/[C@@H]12,C31H40O8,pos_1_1proton1ammonium,540.27231824,UAKCWZDVHJZVRU,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia hirsuta,634791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirsuta'],7,0,7.0
11775,87,908,,,,0.7356712,ISDB,IUUQPVQTAUKPPB-UHFFFAOYSA-N,"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3",C[S+]([O-])CCCCCN=C=S,C7H13NOS2,,191.043856036,IUUQPVQTAUKPPB,,,,Eutrema japonicum,185264.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Eutremeae'],['Eutrema'],['Eutrema japonicum'],3,0,5.942684888839722
11776,87,908,,,,0.7356712,ISDB,IUUQPVQTAUKPPB-UHFFFAOYSA-N,"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3",C[S+]([O-])CCCCCN=C=S,C7H13NOS2,,191.043856036,IUUQPVQTAUKPPB,,,,Sabia japonica,8373.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Proteales'],['Sabiaceae'],['Unknown'],['Sabia'],['Sabia japonica'],3,0,5.942684888839722
11777,87,908,,,,0.7356712,ISDB,IUUQPVQTAUKPPB-UHFFFAOYSA-N,"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3",C[S+]([O-])CCCCCN=C=S,C7H13NOS2,,191.043856036,IUUQPVQTAUKPPB,,,,Erysimum odoratum,3933274.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Erysimeae'],['Erysimum'],['Erysimum odoratum'],3,0,5.942684888839722
11778,87,908,,,,0.7356712,ISDB,IUUQPVQTAUKPPB-NSHDSACASA-N,"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3/t11-/m0/s1",C[S@+]([O-])CCCCCN=C=S,C7H13NOS2,,191.043856036,IUUQPVQTAUKPPB,,,,Erysimum cuspidatum,540616.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Erysimeae'],['Erysimum'],['Erysimum cuspidatum'],3,0,5.942684888839722
11779,87,908,,,,0.7356712,ISDB,IUUQPVQTAUKPPB-NSHDSACASA-N,"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3/t11-/m0/s1",C[S@+]([O-])CCCCCN=C=S,C7H13NOS2,,191.043856036,IUUQPVQTAUKPPB,,,,Aurinia sinuata,3931803.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Alysseae'],['Aurinia'],['Aurinia sinuata'],3,0,5.942684888839722
11780,87,908,,,,0.7356712,ISDB,IUUQPVQTAUKPPB-NSHDSACASA-N,"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3/t11-/m0/s1",C[S@+]([O-])CCCCCN=C=S,C7H13NOS2,,191.043856036,IUUQPVQTAUKPPB,,,,Alyssum argenteum,633672.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Alysseae'],['Odontarrhena'],['Odontarrhena argentea'],3,0,5.942684888839722
11781,87,908,,,,0.7356712,ISDB,IUUQPVQTAUKPPB-NSHDSACASA-N,"InChI=1S/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3/t11-/m0/s1",C[S@+]([O-])CCCCCN=C=S,C7H13NOS2,,191.043856036,IUUQPVQTAUKPPB,,,,Odontarrhena argentea,633672.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Alysseae'],['Odontarrhena'],['Odontarrhena argentea'],3,0,5.942684888839722
11782,86,-1,,,,0.35178527,ISDB,,,,,,,SCNXKGMREIEYDO,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,1.407141089439392
11783,84,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.46064857,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Globularia alypum,5921385.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Globularieae'],['Globularia'],['Globularia alypum'],6,1,8.342594265937805
11784,84,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.46064857,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,1,8.342594265937805
11785,84,105,Shikimates and Phenylpropanoids,Phenolic acids (C6-C1),Simple phenolic acids,0.46064857,ISDB,NGSWKAQJJWESNS-ZZXKWVIFSA-N,"InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+",O=C(O)/C=C/c1ccc(O)cc1,C9H8O3,,164.047344116,NGSWKAQJJWESNS,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,1,8.342594265937805
11786,83,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,OENGBQNNEVGXFX-YBMSBAGSSA-N,"InChI=1S/C27H41NO3/c1-15-11-22(28-14-15)25(31)16(2)24-23(30)13-21-19-6-5-17-12-18(29)7-9-26(17,3)20(19)8-10-27(21,24)4/h5,15-16,18-21,23-24,29-30H,6-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,23+,24-,26-,27-/m0/s1",C[C@@H]1CN=C(C(=O)[C@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C1,C27H41NO3,pos_1_minus1proton1calcium,427.308644172,OENGBQNNEVGXFX,Terpenoids,Steroids,Pregnane steroids,Solanum spirale,22219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum spirale'],8,1,8.5
11787,83,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,AAYKNQSAVBPQIG-UHFFFAOYSA-N,"InChI=1S/C27H41NO3/c1-15-13-22(28-14-15)24(30)16(2)18-7-8-19-17-5-6-21-25(31)23(29)10-12-27(21,4)20(17)9-11-26(18,19)3/h15-21,23,29H,5-14H2,1-4H3",CC1CN=C(C(=O)C(C)C2CCC3C4CCC5C(=O)C(O)CCC5(C)C4CCC23C)C1,C27H41NO3,pos_1_minus1proton1calcium,427.308644172,AAYKNQSAVBPQIG,Terpenoids,Steroids,,Solanum oblongifolium,3870049.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum oblongifolium'],8,1,8.5
11788,83,260,Terpenoids,Diterpenoids,Colensane and Clerodane diterpenoids,0.0,MS1_match,AAYKNQSAVBPQIG-UHFFFAOYSA-N,"InChI=1S/C27H41NO3/c1-15-13-22(28-14-15)24(30)16(2)18-7-8-19-17-5-6-21-25(31)23(29)10-12-27(21,4)20(17)9-11-26(18,19)3/h15-21,23,29H,5-14H2,1-4H3",CC1CN=C(C(=O)C(C)C2CCC3C4CCC5C(=O)C(O)CCC5(C)C4CCC23C)C1,C27H41NO3,pos_1_minus1proton1calcium,427.308644172,AAYKNQSAVBPQIG,Terpenoids,Steroids,,Solanum obliquum,722338.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum obliquum'],8,1,8.5
11789,80,-1,,,,0.0,MS1_match,FMQSPIDOGLAJKQ-UHFFFAOYSA-N,"InChI=1S/C29H46O4/c1-23(2)12-13-28-14-15-29(33-32-28)26(6)10-8-19-24(3,4)22(31)18(30)16-25(19,5)20(26)9-11-27(29,7)21(28)17-23/h14-15,18-22,30-31H,8-13,16-17H2,1-7H3",CC1(C)CCC23C=CC4(OO2)C(C)(CCC2C5(C)CC(O)C(O)C(C)(C)C5CCC24C)C3C1,C29H46O4,pos_1_minus1proton1iron,458.339609952,FMQSPIDOGLAJKQ,Terpenoids,Triterpenoids,Taraxerane triterpenoids,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,8.0
11790,76,193,Shikimates and Phenylpropanoids,Lignans,Isoflavones,0.0,MS1_match,PXZGITHLKCRJQC-YTTJAVHXSA-N,"InChI=1S/C32H42O15/c1-13-23(35)25(37)27(39)31(44-13)47-30-26(38)24(36)22(10-33)46-32(30)45-19-7-5-15(9-21(19)41-3)29-17-12-42-28(16(17)11-43-29)14-4-6-18(34)20(8-14)40-2/h4-9,13,16-17,22-39H,10-12H2,1-3H3/t13-,16+,17+,22+,23-,24+,25+,26-,27+,28+,29+,30+,31-,32+/m0/s1",COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)c(OC)c2)ccc1O,C32H42O15,pos_2_1magnesium,666.252370644,PXZGITHLKCRJQC,Shikimates and Phenylpropanoids,Lignans,Furofuranoid lignans,Hibiscus syriacus,930407.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malvales'],['Malvaceae'],['Unknown'],['Hibiscus'],['Hibiscus syriacus'],6,2,7.0
11791,75,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7702404,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Brassica napus,309234.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Brassiceae'],['Brassica'],['Brassica napus'],4,2,8.08096170425415
11792,75,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7702404,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata,806245.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,2,8.08096170425415
11793,75,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7702404,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Vigna radiata var. radiata,1065946.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Fabales'],['Fabaceae'],['Phaseoleae'],['Vigna'],['Vigna radiata'],4,2,8.08096170425415
11794,75,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7702404,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Allium cepa,781600.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium cepa'],4,2,8.08096170425415
11795,75,74,Amino acids and Peptides,Small peptides,Aminoacids,0.7702404,ISDB,XHHOHZPNYFQJKL-QWRGUYRKSA-N,"InChI=1S/C14H18N2O5/c15-10(13(18)19)6-7-12(17)16-11(14(20)21)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15H2,(H,16,17)(H,18,19)(H,20,21)/t10-,11-/m0/s1",N[C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)O,C14H18N2O5,,294.121571676,XHHOHZPNYFQJKL,Amino acids and Peptides,Small peptides,Dipeptides,Allium sativum,748370.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asparagales'],['Amaryllidaceae'],['Allieae'],['Allium'],['Allium sativum'],4,2,8.08096170425415
11796,74,949,Shikimates and Phenylpropanoids,Coumarins,Cinnamic acids and derivatives,0.0,MS1_match,PCMORTLOPMLEFB-ONEGZZNKSA-N,"InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+",COc1cc(/C=C/C(=O)O)cc(OC)c1O,C11H12O5,pos_1_1proton,224.068473484,PCMORTLOPMLEFB,Shikimates and Phenylpropanoids,Phenylpropanoids (C6-C3),Cinnamic acids and derivatives,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,3,10.5
11797,71,74,Amino acids and Peptides,Small peptides,Aminoacids,0.52268744,ISDB,,,,,,,TYPKOZGUGCPSGX,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,2.090749740600586
11798,68,20,Alkaloids,Sesquiterpenoids,Capnellane sesquiterpenoids,0.21083356,ISDB,ZVRSDNQNDPDGHE-ACWPFVSQSA-N,"InChI=1S/C21H34O6/c1-18-7-4-8-19(2,17(25)27-3)15(18)14(23)16(24)20-9-12(5-6-13(18)20)21(26,10-20)11-22/h12-16,22-24,26H,4-11H2,1-3H3/t12-,13+,14+,15+,16+,18+,19+,20-,21-/m1/s1",COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(O)CO)[C@@H](O)[C@@H](O)[C@@H]21,C21H34O6,,382.235538808,ZVRSDNQNDPDGHE,Terpenoids,Diterpenoids,Kaurane and Phyllocladane diterpenoids,Ipomoea nil,77355.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Convolvulaceae'],['Ipomoeeae'],['Ipomoea'],['Ipomoea nil'],1,0,1.8433342576026917
11799,67,94,Terpenoids,Flavonoids,Disaccharides,0.2245378,ISDB,,,,,,,YWXYYJSYQOXTPL,,,,,,['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],['Unknown'],0,0,0.8981512188911438
11800,56,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,DTGKSKDOIYIVQL-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",CC1(C)C2CCC1(C)C(O)C2,C10H18O,pos_1_1proton1ammonium,154.135765196,DTGKSKDOIYIVQL,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Euphorbia hirta,851849.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia hirta'],7,0,7.0
11801,56,124,Fatty acids,Fatty amides,Primary amides,0.0,MS1_match,DTGKSKDOIYIVQL-UHFFFAOYSA-N,"InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3",CC1(C)C2CCC1(C)C(O)C2,C10H18O,pos_1_1proton1ammonium,154.135765196,DTGKSKDOIYIVQL,Terpenoids,Monoterpenoids,Camphane monoterpenoids,Euphorbia segetalis,825700.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia segetalis'],7,0,7.0
11802,55,437,Shikimates and Phenylpropanoids,Flavonoids,Flavones,0.26972345,ISDB,UUPRXDTUNKUSFL-JRGHOCALSA-N,"InChI=1S/C36H36O18/c1-49-24-8-14(2-5-17(24)38)3-7-26(44)50-13-25-30(46)31(47)35(54-36-32(48)29(45)22(43)12-51-36)34(53-25)28-20(41)10-19(40)27-21(42)11-23(52-33(27)28)15-4-6-16(37)18(39)9-15/h2-11,22,25,29-32,34-41,43,45-48H,12-13H2,1H3/b7-3+/t22-,25+,29-,30-,31-,32-,34+,35+,36-/m1/s1",COc1cc(/C=C/C(=O)OC[C@@H]2O[C@@H](c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)[C@@H](O[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H]2O)ccc1O,C36H36O18,,756.190164312,UUPRXDTUNKUSFL,Shikimates and Phenylpropanoids,Flavonoids,Flavones,Setaria italica,553005.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Paniceae'],['Setaria'],['Setaria italica'],6,3,8.578893780708313
11803,52,-1,,,,0.0,MS1_match,NWIBSHFKIJFRCO-WUDYKRTCSA-N,"InChI=1S/C15H18N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h6-7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,13+,15-/m1/s1",CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,C15H18N4O5,pos_1_minus1proton2sodium,334.127719676,NWIBSHFKIJFRCO,Alkaloids,Mitomycin derivatives,Mitomycins,Scoparia dulcis,1068307.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Unknown'],['Scoparia'],['Scoparia dulcis'],6,0,6.0
11804,51,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-UHFFFAOYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3",CC1CC(O)C2(OC1O)OC1CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C,C45H72O18,pos_2_1proton1sodium,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum melongena,494843.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum melongena'],8,0,8.0
11805,51,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum lasiocarpum,835552.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lasiocarpum'],8,0,8.0
11806,51,-1,,,,0.0,MS1_match,SCEKBVUERPJRNS-GDVAPLMRSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,SCEKBVUERPJRNS,Terpenoids,Steroids,Spirostane steroids,Solanum violaceum,701412.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum violaceum'],8,0,8.0
11807,51,-1,,,,0.0,MS1_match,XNHZDPAJXHYTSI-BFGMSUTKSA-N,"InChI=1S/C45H72O18/c1-18-8-11-45(56-17-18)19(2)30-26(63-45)13-25-23-7-6-21-12-22(9-10-43(21,4)24(23)14-29(48)44(25,30)5)58-42-39(62-40-36(54)34(52)31(49)20(3)57-40)38(33(51)28(16-47)60-42)61-41-37(55)35(53)32(50)27(15-46)59-41/h6,18-20,22-42,46-55H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44-,45-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,XNHZDPAJXHYTSI,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0
11808,51,-1,,,,0.0,MS1_match,QRLNYFWBVWUKJA-WFIHUWAWSA-N,"InChI=1S/C45H72O18/c1-19-30(48)32(50)34(52)39(57-19)61-37-28(17-47)60-41(38(36(37)54)62-40-35(53)33(51)31(49)20(2)58-40)59-24-9-11-42(4)23(14-24)6-7-25-26(42)10-12-43(5)27(25)15-29-45(43,55)21(3)44(63-29)13-8-22(16-46)18-56-44/h6,19-22,24-41,46-55H,7-18H2,1-5H3/t19-,20-,21+,22-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41+,42-,43-,44+,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@H]5C[C@@H]5O[C@]6(CC[C@@H](CO)CO6)[C@@H](C)[C@@]54O)C3)O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_2_1proton1sodium,900.471865464,QRLNYFWBVWUKJA,Terpenoids,Steroids,Spirostane steroids,Solanum incanum,14204.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum incanum'],8,0,8.0
11809,51,-1,,,,0.0,MS1_match,MWTJVBOEJQIILT-UOOYKZNMSA-N,"InChI=1S/C45H72O18/c1-17-9-12-45(63-39(17)55)18(2)29-26(62-45)14-25-23-8-7-21-13-22(10-11-43(21,5)24(23)15-28(47)44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h7,17-20,22-42,46-55H,8-16H2,1-6H3/t17-,18+,19+,20+,22+,23-,24+,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43+,44-,45+/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,MWTJVBOEJQIILT,Terpenoids,Steroids,Spirostane steroids,Solanum lycocarpum,691771.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycocarpum'],8,0,8.0
11810,51,-1,,,,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
11811,51,-1,,,,0.0,MS1_match,YWZIECUTYXPEII-OQHWBBKZSA-N,"InChI=1S/C45H72O18/c1-18-9-14-44(63-38(18)54)21(4)45(55)28(62-44)16-26-24-8-7-22-15-23(10-12-42(22,5)25(24)11-13-43(26,45)6)58-41-37(61-40-34(52)32(50)30(48)20(3)57-40)35(53)36(27(17-46)59-41)60-39-33(51)31(49)29(47)19(2)56-39/h7,18-21,23-41,46-55H,8-17H2,1-6H3/t18-,19+,20+,21-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32-,33-,34-,35+,36-,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",C[C@@H]1CC[C@@]2(O[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,YWZIECUTYXPEII,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0
11812,51,-1,,,,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum americanum,756802.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum americanum'],8,0,8.0
11813,51,-1,,,,0.0,MS1_match,KHFXPJDROWSYEF-MZKWCCRZSA-N,"InChI=1S/C45H72O18/c1-19-9-14-44(63-38(19)55-6)21(3)45(54)29(62-44)16-26-24-8-7-22-15-23(10-12-42(22,4)25(24)11-13-43(26,45)5)58-41-37(61-40-35(53)33(51)30(48)20(2)57-40)36(32(50)28(17-46)59-41)60-39-34(52)31(49)27(47)18-56-39/h7,19-21,23-41,46-54H,8-18H2,1-6H3/t19-,20+,21-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42+,43+,44+,45-/m1/s1",CO[C@@H]1O[C@]2(CC[C@H]1C)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]1(O)[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,KHFXPJDROWSYEF,Terpenoids,Steroids,Spirostane steroids,Solanum nodiflorum,676050.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum nodiflorum'],8,0,8.0
11814,51,-1,,,,0.0,MS1_match,UTSRBRZLSPTMIC-RJXWSSPCSA-N,"InChI=1S/C45H72O18/c1-19-29-26(63-45(19)13-12-42(3,55)18-56-45)15-25-23-7-6-21-14-22(8-10-43(21,4)24(23)9-11-44(25,29)5)58-41-38(62-39-35(53)33(51)30(48)20(2)57-39)37(32(50)28(17-47)60-41)61-40-36(54)34(52)31(49)27(16-46)59-40/h6,19-20,22-41,46-55H,7-18H2,1-5H3/t19-,20-,22-,23+,24-,25-,26-,27+,28+,29-,30-,31+,32-,33+,34-,35+,36+,37-,38+,39-,40-,41+,42+,43-,44-,45+/m0/s1",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@H](CO)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O,C45H72O18,pos_2_1proton1sodium,900.471865464,UTSRBRZLSPTMIC,Terpenoids,Steroids,Spirostane steroids,Solanum sisymbriifolium,4047.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum sisymbriifolium'],8,0,8.0
11815,51,-1,,,,0.0,MS1_match,VLSICJHWFMNVSZ-FDEJVROYSA-N,"InChI=1S/C45H72O18/c1-17-13-28(47)45(63-39(17)55)18(2)29-26(62-45)15-25-23-8-7-21-14-22(9-11-43(21,5)24(23)10-12-44(25,29)6)58-42-38(61-41-35(53)33(51)31(49)20(4)57-41)36(54)37(27(16-46)59-42)60-40-34(52)32(50)30(48)19(3)56-40/h17-38,40-42,46-54H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37-,38-,40+,41+,42-,43+,44+,45-/m1/s1",C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C45H72O18,pos_2_1proton1sodium,900.471865464,VLSICJHWFMNVSZ,Terpenoids,Steroids,Furostane steroids,Solanum dulcamara,121226.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum dulcamara'],8,0,8.0
11816,51,-1,,,,0.0,MS1_match,UHHVHDDICOEBTQ-UHFFFAOYSA-N,"InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)",CC(C=CC1(O)C2(C)COC1(C)CC(OC1OC(CO)C(O)C(O)C1O)C2)=CC(=O)O,C21H32O10,pos_1_1proton1ammonium,444.199547224,UHHVHDDICOEBTQ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
11817,51,-1,,,,0.0,MS1_match,UHHVHDDICOEBTQ-UHFFFAOYSA-N,"InChI=1S/C21H32O10/c1-11(6-14(23)24)4-5-21(28)19(2)7-12(8-20(21,3)29-10-19)30-18-17(27)16(26)15(25)13(9-22)31-18/h4-6,12-13,15-18,22,25-28H,7-10H2,1-3H3,(H,23,24)",CC(C=CC1(O)C2(C)COC1(C)CC(OC1OC(CO)C(O)C(O)C1O)C2)=CC(=O)O,C21H32O10,pos_1_1proton1ammonium,444.199547224,UHHVHDDICOEBTQ,Terpenoids,Apocarotenoids,Apocarotenoids(ε-),Solanum lycopersicum,378964.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum lycopersicum'],8,0,8.0
11818,50,-1,,,,0.25076714,ISDB,FEFNCJCBHKHTHJ-NJEZYTRHSA-N,"InChI=1S/C30H45NO11/c1-17-15-30(37,42-19(3)18(17)2)25(35)27(36)31-28-24-23(39-16-40-28)26(38-6)29(4,5)21(41-24)14-20(32)12-10-8-7-9-11-13-22(33)34/h7,9,11,13,18-19,21,23-26,28,35,37H,1,8,10,12,14-16H2,2-6H3,(H,31,36)(H,33,34)/b9-7+,13-11+/t18-,19-,21-,23+,24+,25-,26-,28+,30-/m1/s1",C=C1C[C@](O)([C@H](O)C(=O)N[C@H]2OCO[C@H]3[C@@H]2O[C@H](CC(=O)CCC/C=C/C=C/C(=O)O)C(C)(C)[C@@H]3OC)O[C@H](C)[C@@H]1C,C30H45NO11,,595.29926126,FEFNCJCBHKHTHJ,Polyketides,Linear polyketides,Open-chain polyketides,Theonella swinhoei,49919.0,['Eukaryota'],['Metazoa'],['Porifera'],['Demospongiae'],['Tetractinellida'],['Theonellidae'],['Unknown'],['Theonella'],['Theonella swinhoei'],2,0,3.0030685663223267
11819,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,3,8.5
11820,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,3,8.5
11821,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
11822,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
11823,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,3,8.5
11824,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
11825,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
11826,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neopulchella,1060168.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neopulchella'],7,3,8.5
11827,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea neoserrata,1021278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea neoserrata'],7,3,8.5
11828,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amara,410125.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amara'],7,3,8.5
11829,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus junonianus,404587.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus junonianus'],7,3,8.5
11830,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea behen,193978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea behen'],7,3,8.5
11831,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea kotschyi,717417.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea kotschyi'],7,3,8.5
11832,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea eopygmaea,869865.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea eopygmaea'],7,3,8.5
11833,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea brunneopilosa,410121.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea brunneopilosa'],7,3,8.5
11834,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Plectocephalus americanus,1066126.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Plectocephalus'],['Plectocephalus americanus'],7,3,8.5
11835,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria crupinoides,1036515.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria crupinoides'],7,3,8.5
11836,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
11837,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Volutaria tubuliflora,3894371.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Volutaria'],['Volutaria tubuliflora'],7,3,8.5
11838,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Oligochaeta divaricata,39607.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Oligochaeta'],['Oligochaeta divaricata'],7,3,8.5
11839,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara humilis,122247.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara humilis'],7,3,8.5
11840,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,3,8.5
11841,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,3,8.5
11842,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,3,8.5
11843,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,3,8.5
11844,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
11845,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia canescens,13141.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia canescens'],7,3,8.5
11846,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-NZLQQEQQSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
11847,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-RMCNWUJSSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3/t11-,12-,13+,14-,15+,16+,17-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2[C@@H](O)[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
11848,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
11849,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,3,8.5
11850,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
11851,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,MRBKKNMFILNDIF-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-7(2)18(22)24-11-6-8(3)12-14(9(4)15(20)16(12)21)17-13(11)10(5)19(23)25-17/h11-17,20-21H,1,3-6H2,2H3",C=C(C)C(=O)OC1CC(=C)C2C(O)C(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.141638424,MRBKKNMFILNDIF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
11852,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum serratuloides,385654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum serratuloides'],7,3,8.5
11853,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
11854,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,SLZZSZNKFRLTEG-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-12(20)15-10(3)17(21)25-16(15)14-9(2)13(6-11(8)14)24-18(22)19(4)7-23-19/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)[C@]4(C)CO4)C[C@H]3C(=C)C[C@H](O)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,SLZZSZNKFRLTEG,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea salonitana,262330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea salonitana'],7,3,8.5
11855,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_2MHNH3,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11856,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,IPZJSGMDGJTDNK-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14-16(11(4)19(23)24-14)17(25-18(22)9(2)7-20)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@@H]1[C@H]2C(=C)[C@@H](O)C[C@H]2C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]12,C19H22O6,pos_2MHNH3,346.14163842399995,IPZJSGMDGJTDNK,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11857,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-LSYIGHHSSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16+,19+/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@]3(CO3)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Ptilostemon diacantha,1068548.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Ptilostemon'],['Ptilostemon diacanthus'],7,3,8.5
11858,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea collina,391020.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea collina'],7,3,8.5
11859,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
11860,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
11861,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,3,8.5
11862,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,GMSCGNDWWHJSIY-UJAQHVGQSA-N,"InChI=1S/C19H22O6/c1-8-5-13(24-18(22)19(4)7-23-19)15-10(3)17(21)25-16(15)14-9(2)12(20)6-11(8)14/h11-16,20H,1-3,5-7H2,4H3/t11-,12-,13-,14-,15+,16+,19-/m0/s1",C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](O)C[C@H]3C(=C)C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]12,C19H22O6,pos_2MHNH3,346.141638424,GMSCGNDWWHJSIY,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,3,8.5
11863,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OYBRIQSXJOQPQF-PHPOFCCKSA-N,"InChI=1S/C19H22O6/c1-8-5-12(21)14-9(2)6-13(24-18(22)10(3)7-20)16-11(4)19(23)25-17(16)15(8)14/h12-17,20-21H,1-7H2/t12-,13+,14-,15+,16-,17-/m1/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@H]2[C@H](C(=C)C[C@H]2O)[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,OYBRIQSXJOQPQF,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
11864,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea pulchella,210428.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea pulchella'],7,3,8.5
11865,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
11866,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-WDUCEZRYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19-/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@@]3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea musimomum,7613252.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea musimomum'],7,3,8.5
11867,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus zangezuri,3894457.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus zangezuri'],7,3,8.5
11868,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus teydis,70330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus teydis'],7,3,8.5
11869,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus somcheticus,3894442.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus somcheticus'],7,3,8.5
11870,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus colchicus,3894472.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus colchicus'],7,3,8.5
11871,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus carthalinicus,3894419.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus carthalinicus'],7,3,8.5
11872,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea rhaponticoides,5537492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Leuzea'],['Leuzea rhaponticoides'],7,3,8.5
11873,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus dealbatus,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
11874,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea thracica,569822.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea thracica'],7,3,8.5
11875,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea pterocaula,39615.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea pterocaula'],7,3,8.5
11876,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus declinatus,887129.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea cineraria'],7,3,8.5
11877,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus karabaghensis,3894447.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus karabaghensis'],7,3,8.5
11878,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
11879,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus mauritanicus,404581.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus mauritanicus'],7,3,8.5
11880,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus uliginosus,879495.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus uliginosus'],7,3,8.5
11881,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea amurensis,716972.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea amurensis'],7,3,8.5
11882,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Himalaiella deltoidea,210424.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Himalaiella'],['Himalaiella deltoidea'],7,3,8.5
11883,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Acroptilon repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
11884,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Rhaponticum repens,935654.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum repens'],7,3,8.5
11885,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea solstitialis,852752.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea solstitialis'],7,3,8.5
11886,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea deflexa,202734.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea deflexa'],7,3,8.5
11887,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2",C=C(CO)C(=O)OC1CC(=C)C2CC(O)C(=C)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea scoparia,7052254.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea scoparia'],7,3,8.5
11888,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-UHFFFAOYSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3",C=C(C)C(=O)OC1CC(=C)C2CC(O)C3(CO3)C2C2OC(=O)C(=C)C12,C19H22O6,pos_2MHNH3,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea salicifolia,289582.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea salicifolia'],7,3,8.5
11889,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus sempervirens,879492.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus sempervirens'],7,3,8.5
11890,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea dealbata,18511.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea dealbata'],7,3,8.5
11891,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus daghestanicus,3894460.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus daghestanicus'],7,3,8.5
11892,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus adjaricus,7613610.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus adjaricus'],7,3,8.5
11893,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,OXOPCSJXUOZWDB-YECQUUSFSA-N,"InChI=1S/C19H22O6/c1-8(2)17(21)24-12-5-9(3)11-6-13(20)19(7-23-19)15(11)16-14(12)10(4)18(22)25-16/h11-16,20H,1,3-7H2,2H3/t11-,12-,13-,14+,15-,16-,19?/m0/s1",C=C(C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C3(CO3)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.141638424,OXOPCSJXUOZWDB,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea aegyptiaca,1063359.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea eriophora'],7,3,8.5
11894,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara cardunculus,991885.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
11895,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cynara scolymus,107841.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cynara'],['Cynara cardunculus'],7,3,8.5
11896,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Tricholepis glaberrima,5739788.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Tricholepis'],['Tricholepis glaberrima'],7,3,8.5
11897,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cheirolophus canariensis,404588.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cheirolophus'],['Cheirolophus canariensis'],7,3,8.5
11898,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea lipschitzii,7612463.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea lipschitzii'],7,3,8.5
11899,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia adenosticta,368326.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia adenosticta'],7,3,8.5
11900,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus simplicicaulis,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
11901,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Cousinia piptocephala,167186.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Cousinia'],['Cousinia piptocephala'],7,3,8.5
11902,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Saussurea candicans,146087.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Saussurea'],['Saussurea candicans'],7,3,8.5
11903,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea hermannii,202721.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hermannii'],7,3,8.5
11904,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea macrocephala,539766.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea macrocephala'],7,3,8.5
11905,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus bellus,350270.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus bellus'],7,3,8.5
11906,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus hypoleucus,3894395.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus hypoleucus'],7,3,8.5
11907,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Psephellus leucophyllus,7613627.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Psephellus'],['Psephellus leucophyllus'],7,3,8.5
11908,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Hemisteptia lyrata,733911.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Hemisteptia'],['Hemisteptia lyrata'],7,3,8.5
11909,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Leuzea carthamoides,1012791.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Rhaponticum'],['Rhaponticum carthamoides'],7,3,8.5
11910,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea gabrieljanae,3894028.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea gabrieljanae'],7,3,8.5
11911,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurea ptosimopappoides,49199.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea ptosimopappoides'],7,3,8.5
11912,47,71,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,0.0,MS1_match,KHSCYOFDKADJDJ-NQLMQOPMSA-N,"InChI=1S/C19H22O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12-17,20-21H,1-7H2/t12-,13-,14-,15-,16+,17+/m0/s1",C=C(CO)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]21,C19H22O6,pos_2MHNH3,346.14163842399995,KHSCYOFDKADJDJ,Terpenoids,Sesquiterpenoids,Guaiane sesquiterpenoids,Centaurothamnus maximus,879499.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurothamnus'],['Centaurothamnus maximus'],7,3,8.5
11913,43,167,Terpenoids,Sesquiterpenoids,Polyamines,0.400807,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Corydalis saxicola,345836.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Ranunculales'],['Papaveraceae'],['Unknown'],['Corydalis'],['Corydalis saxicola'],4,3,7.103227972984314
11914,43,167,Terpenoids,Sesquiterpenoids,Polyamines,0.400807,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Arabidopsis thaliana,309263.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Brassicales'],['Brassicaceae'],['Camelineae'],['Arabidopsis'],['Arabidopsis thaliana'],4,3,7.103227972984314
11915,43,167,Terpenoids,Sesquiterpenoids,Polyamines,0.400807,ISDB,UBMDAKWARMURDL-FNORWQNLSA-N,"InChI=1S/C15H22N4O3/c1-22-13-10-11(4-6-12(13)20)5-7-14(21)18-8-2-3-9-19-15(16)17/h4-7,10,20H,2-3,8-9H2,1H3,(H,18,21)(H4,16,17,19)/b7-5+",COc1cc(/C=C/C(=O)NCCCCNC(=N)N)ccc1O,C15H22N4O3,,306.169190564,UBMDAKWARMURDL,Alkaloids,Ornithine alkaloids,Polyamines,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],4,3,7.103227972984314
11916,38,-1,,,,0.0,MS1_match,VDGVSLYORGPBOK-ZNJBIABSSA-N,"InChI=1S/C21H34O9/c1-10(18(26)27)11-4-6-20(2)7-5-14(21(3,28)13(20)8-11)30-19-17(25)16(24)15(23)12(9-22)29-19/h11-17,19,22-25,28H,1,4-9H2,2-3H3,(H,26,27)/t11-,12-,13-,14+,15-,16+,17-,19+,20+,21-/m1/s1",C=C(C(=O)O)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(O)[C@@H]2C1,C21H34O9,pos_1_1sodium,430.220282668,VDGVSLYORGPBOK,Terpenoids,Sesquiterpenoids,Eudesmane sesquiterpenoids,Centaurea hierapolitana,7052219.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Cardueae'],['Centaurea'],['Centaurea hierapolitana'],7,0,7.0
11917,36,-1,,,,0.0,MS1_match,YDIBJNYWGGQDRW-WEJOUWBKSA-N,"InChI=1S/C29H36O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(35-27(34)21-10-8-7-9-11-21)19(3)16-29(22,26(17)33)36-20(4)30/h7-14,17,19,22-23,25,31H,15-16H2,1-6H3/b13-12-,18-14-/t17-,19-,22+,23-,25+,29-/m1/s1",CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(/C)[C@H](O)CC(=O)C(C)(C)/C=C\[C@@H](C)C2=O,C29H36O7,pos_1_1proton1ethylamine,496.246103492,YDIBJNYWGGQDRW,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11918,36,-1,,,,0.0,MS1_match,DDZFDKVXEAOLQA-HQSISCBMSA-N,"InChI=1S/C29H36O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(35-27(34)21-10-8-7-9-11-21)19(3)16-29(22,26(17)33)36-20(4)30/h7-12,14,19,22-23,25,31H,13,15-16H2,1-6H3/b17-12+,18-14+/t19-,22+,23-,25+,29-/m1/s1",CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](O)CC(=O)C(C)(C)C/C=C(\C)C2=O,C29H36O7,pos_1_1proton1ethylamine,496.2461034919999,DDZFDKVXEAOLQA,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11919,36,-1,,,,0.0,MS1_match,ZUNZFMCDLSCUGC-AJKKUMOQSA-N,"InChI=1S/C29H40O7/c1-17-12-13-28(5,6)24(32)15-23(31)18(2)14-22-25(36-27(33)21-10-8-7-9-11-21)19(3)16-29(22,34)26(17)35-20(4)30/h7-14,17,19,22-26,31-32,34H,15-16H2,1-6H3/b13-12+,18-14+/t17-,19-,22-,23+,24+,25-,26-,29+/m0/s1",CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](O)C[C@@H](O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21O,C29H40O7,pos_1_1proton1acetonitrile,500.2774036199999,ZUNZFMCDLSCUGC,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,0,9.0
11920,35,159,Terpenoids,Sesquiterpenoids,Cinnamic acids and derivatives,0.0,MS1_match,DBVVQDGIJAUEAZ-UHFFFAOYSA-N,"InChI=1S/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)",CC(CO)CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O,C15H23N5O5,pos_1_1proton,353.169918836,DBVVQDGIJAUEAZ,Carbohydrates,Nucleosides,Purine nucleos(t)ides,Triticum aestivum,31926.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Poales'],['Poaceae'],['Triticeae'],['Triticum'],['Triticum aestivum'],9,0,9.0
11921,34,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5
11922,34,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5
11923,34,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5
11924,34,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5
11925,34,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum virginianum,138106.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum virginianum'],8,3,9.5
11926,34,959,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,0.0,MS1_match,XHCADAYNFIFUHF-TVKJYDDYSA-N,"InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1",O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1,C15H16O9,pos_1_1proton1ammonium,340.0794320919999,XHCADAYNFIFUHF,Shikimates and Phenylpropanoids,Coumarins,Simple coumarins,Solanum aethiopicum,886496.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum aethiopicum'],8,3,9.5
11927,32,-1,,,,0.0,MS1_match,UVLDESQWQRMYKD-MOAZMYQBSA-N,"InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h5,15-16,18-22,24,28H,6-14H2,1-4H3/t15-,16+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_1proton,428.29265976,UVLDESQWQRMYKD,Terpenoids,Steroids,Spirostane steroids,Solanum amotapense,726194.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum amotapense'],8,0,8.0
11928,32,-1,,,,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_1proton,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum hirtum,835558.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum hirtum'],8,0,8.0
11929,32,-1,,,,0.0,MS1_match,CGXQJOWMWZPOPV-VNDFWDEUSA-N,"InChI=1S/C27H40O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-16,18-21,23-24H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,21-,23+,24+,25-,26+,27-/m1/s1",C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C,C27H40O4,pos_1_1proton,428.29265976,CGXQJOWMWZPOPV,Terpenoids,Steroids,Spirostane steroids,Solanum torvum,1022523.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum torvum'],8,0,8.0
11930,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-OFKRMOSHSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8-,10+,11-,12+,13-,15+,16+,17-/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
11931,29,-1,,,,0.0,MS1_match,JTIRVAMILJQVBT-GSVAQQCBSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,9-14,16-19,21-23H,2-4H2,1H3/t6-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,JTIRVAMILJQVBT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,0,6.0
11932,29,-1,,,,0.0,MS1_match,JTIRVAMILJQVBT-GSVAQQCBSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,9-14,16-19,21-23H,2-4H2,1H3/t6-,9-,10-,11+,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,JTIRVAMILJQVBT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon grandiflorus,323784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon grandiflorus'],6,0,6.0
11933,29,-1,,,,0.0,MS1_match,JTIRVAMILJQVBT-XJSNKYLASA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h5-6,9-14,16-19,21-23H,2-4H2,1H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](CO)CC(=O)[C@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,JTIRVAMILJQVBT,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,0,6.0
11934,29,-1,,,,0.0,MS1_match,WSGPLSDARZNMCW-FCVLBCLDSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.1318615879999,WSGPLSDARZNMCW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,0,6.0
11935,29,-1,,,,0.0,MS1_match,WSGPLSDARZNMCW-FCVLBCLDSA-N,"InChI=1S/C17H24O11/c1-25-15(24)7-5-26-16(10-6(3-18)2-8(20)11(7)10)28-17-14(23)13(22)12(21)9(4-19)27-17/h2,5,8-14,16-23H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.1318615879999,WSGPLSDARZNMCW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago lagopus,508696.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago lagopus'],6,0,6.0
11936,29,-1,,,,0.0,MS1_match,IWDXNCIWSRAIAR-OCGKWZSUSA-N,"InChI=1S/C17H24O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-6,9-10,12-14,16-23H,2-4H2,1H3/t6-,9+,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)[C@@H](O)C[C@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,IWDXNCIWSRAIAR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago cornuti,217285.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago cornuti'],6,0,6.0
11937,29,-1,,,,0.0,MS1_match,IWDXNCIWSRAIAR-OCGKWZSUSA-N,"InChI=1S/C17H24O11/c1-25-15(24)8-5-26-16(11-6(8)2-9(20)7(11)3-18)28-17-14(23)13(22)12(21)10(4-19)27-17/h5-6,9-10,12-14,16-23H,2-4H2,1H3/t6-,9+,10-,12-,13+,14-,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=C(CO)[C@@H](O)C[C@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,IWDXNCIWSRAIAR,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago major,122965.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago major'],6,0,6.0
11938,29,-1,,,,0.0,MS1_match,BRXLHMIHJHNCQI-PDNMSMPNSA-N,"InChI=1S/C17H24O11/c1-6(19)25-13-12-16(2,28-12)11-15(24-4-3-17(11,13)23)27-14-10(22)9(21)8(20)7(5-18)26-14/h3-4,7-15,18,20-23H,5H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,14+,15+,16-,17+/m1/s1",CC(=O)O[C@@H]1[C@@H]2O[C@]2(C)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,BRXLHMIHJHNCQI,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Nanorrhinum asparagoides,7053888.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Antirrhineae'],['Nanorrhinum'],['Nanorrhinum asparagoides'],6,0,6.0
11939,29,-1,,,,0.0,MS1_match,WUZGENDUAYSYJW-OONZBJFNSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h3,5,8-13,15-16,18-22,24H,4H2,1-2H3/t8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C)=C[C@H](O)[C@@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,WUZGENDUAYSYJW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
11940,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-DGQPLNRKSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13-,15+,16+,17+/m0/s1",COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon grandiflorus,323784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon grandiflorus'],6,0,6.0
11941,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-CZMSZWGTSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,0,6.0
11942,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-UHFFFAOYSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12O,C17H24O11,pos_1_1proton2acetonitrile,404.1318615879998,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,0,6.0
11943,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-OFKRMOSHSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8-,10+,11-,12+,13-,15+,16+,17-/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
11944,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-DGQPLNRKSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13-,15+,16+,17+/m0/s1",COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon grandiflorus,323784.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon grandiflorus'],6,0,6.0
11945,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-CZMSZWGTSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10-,11+,12-,13+,15-,16-,17+/m0/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon secundiflorus,673705.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon secundiflorus'],6,0,6.0
11946,29,-1,,,,0.0,MS1_match,PRZVXHGUJJPSME-UHFFFAOYSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3",COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)CC(=O)C12O,C17H24O11,pos_1_1proton2acetonitrile,404.1318615879998,PRZVXHGUJJPSME,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon nitidus,391330.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon nitidus'],6,0,6.0
11947,29,-1,,,,0.0,MS1_match,WUZGENDUAYSYJW-OONZBJFNSA-N,"InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h3,5,8-13,15-16,18-22,24H,4H2,1-2H3/t8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1",COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C)=C[C@H](O)[C@@]12O,C17H24O11,pos_1_1proton2acetonitrile,404.131861588,WUZGENDUAYSYJW,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Penstemon centranthifolius,543978.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Cheloneae'],['Penstemon'],['Penstemon centranthifolius'],6,0,6.0
11948,29,-1,,,,0.0,MS1_match,KYTISVZGNSQNDO-HPNPIHRUSA-N,"InChI=1S/C17H24O11/c1-7(19)26-6-8-4-10(20)17(24)2-3-25-15(11(8)17)28-16-14(23)13(22)12(21)9(5-18)27-16/h2-4,9-16,18,20-24H,5-6H2,1H3/t9-,10+,11+,12-,13+,14-,15-,16+,17+/m0/s1",CC(=O)OCC1=C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12,C17H24O11,pos_1_1proton2acetonitrile,404.1318615879998,KYTISVZGNSQNDO,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,Plantago media,989039.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Plantagineae'],['Plantago'],['Plantago media'],6,0,6.0
11949,27,-1,,,,0.0,MS1_match,LVWCGFQTAFKQBI-DWBQKEMDSA-N,"InChI=1S/C30H42O6/c1-8-9-10-11-12-13-26(32)35-25-16-23-22(29(23,6)7)15-19(3)28(34)30(36-21(5)31)17-20(4)27(33)24(30)14-18(25)2/h10-15,20,22-25,27,33H,8-9,16-17H2,1-7H3/b11-10-,13-12+,18-14+,19-15+/t20-,22-,23+,24+,25-,27+,30-/m1/s1",CCC/C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C,C30H42O6,pos_1_1proton1ethylamine,498.298139064,LVWCGFQTAFKQBI,Terpenoids,Diterpenoids,Lathyrane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],7,0,7.0
11950,27,-1,,,,0.0,MS1_match,XMXZQPNIMGCMHC-JFSCPWEMSA-N,"InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-18(2)16-29-19(3)14-22-24(28(22,4)5)21(26(29)34)15-20(17-31)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10-,13-12+/t19-,21+,22-,24+,25-,27+,29+,30+/m1/s1",CCCCC/C=C\C=C\C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C,C30H42O6,pos_1_1proton1ethylamine,498.298139064,XMXZQPNIMGCMHC,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
11951,27,-1,,,,0.0,MS1_match,ZNSZMBGAKDLHFK-AWOIRFTESA-N,"InChI=1S/C30H46O6/c1-6-7-8-9-10-11-12-13-23(31)36-17-20-15-21-24-22(28(24,4)5)14-19(3)29(27(21)34)16-18(2)25(32)30(29,35)26(20)33/h15-16,19,21-22,24-26,32-33,35H,6-14,17H2,1-5H3/t19-,21+,22-,24+,25+,26-,29+,30-/m1/s1",CCCCCCCCCC(=O)OCC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C30H46O6,pos_1_1proton1acetonitrile,502.3294391919999,ZNSZMBGAKDLHFK,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
11952,27,-1,,,,0.0,MS1_match,PDJLXCBLDTYKBP-URYFMOAVSA-N,"InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(31)36-17-20-15-21-24-22(28(24,4)5)14-19(3)29(27(21)34)16-18(2)25(32)30(29,35)26(20)33/h10-13,15-16,19,21-22,24-26,32-33,35H,6-9,14,17H2,1-5H3/b11-10-,13-12+/t19-,21+,22-,24+,25+,26-,29+,30-/m1/s1",CCCCC/C=C\C=C\C(=O)OCC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@@H]1O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C30H42O6,pos_1_1proton1ethylamine,498.2981390639999,PDJLXCBLDTYKBP,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
11953,27,-1,,,,0.0,MS1_match,BMSQOSCSLGJQPZ-FUXMVPHISA-N,"InChI=1S/C30H42O6/c1-6-7-8-9-10-11-12-13-23(32)36-27-20(17-31)15-21-24-22(28(24,4)5)14-19(3)29(26(21)34)16-18(2)25(33)30(27,29)35/h10-13,15-16,19,21-22,24-25,27,31,33,35H,6-9,14,17H2,1-5H3/b11-10+,13-12+/t19-,21+,22-,24+,25+,27-,29+,30-/m1/s1",CCCCC/C=C/C=C/C(=O)O[C@@H]1C(CO)=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C,C30H42O6,pos_1_1proton1ethylamine,498.298139064,BMSQOSCSLGJQPZ,Terpenoids,Diterpenoids,Ingenane diterpenoids,Euphorbia kansui,840213.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia kansui'],7,0,7.0
11954,26,296,Terpenoids,Monoterpenoids,Iridoids monoterpenoids,0.0,MS1_match,GEWDNTWNSAZUDX-WQMVXFAESA-N,"InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1",CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC,C13H20O3,pos_1_1proton,224.1412445,GEWDNTWNSAZUDX,Fatty acids,Octadecanoids,Jasmonic acids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
11955,25,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-UHFFFAOYSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2",OCC1OC(OCCc2ccc(O)c(O)c2)C(O)C(O)C1O,C14H20O8,pos_1_1potassium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Picrorhiza scrophulariiflora,257215.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Neopicrorhiza'],['Neopicrorhiza scrophulariiflora'],7,0,7.0
11956,25,-1,,,,0.0,MS1_match,PQQITYGQJLPDFC-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-4-3-7-1-2-8(16)9(17)5-7/h1-2,5,10-20H,3-4,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1potassium,316.1158176,PQQITYGQJLPDFC,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],7,0,7.0
11957,25,-1,,,,0.0,MS1_match,VQRDMNHWADLITK-UHFFFAOYSA-N,"InChI=1S/C14H20O8/c15-2-1-7-3-8(17)5-9(4-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h3-5,10-20H,1-2,6H2",OCCc1cc(O)cc(OC2OC(CO)C(O)C(O)C2O)c1,C14H20O8,pos_1_1potassium,316.1158176,VQRDMNHWADLITK,,,,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],7,0,7.0
11958,25,-1,,,,0.0,MS1_match,VMJSQSHKQAWVBB-RKQHYHRCSA-N,"InChI=1S/C14H20O8/c15-6-10-11(18)12(19)13(20)14(22-10)21-2-1-7-3-8(16)5-9(17)4-7/h3-5,10-20H,1-2,6H2/t10-,11-,12+,13-,14-/m1/s1",OC[C@H]1O[C@@H](OCCc2cc(O)cc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O,C14H20O8,pos_1_1potassium,316.1158176,VMJSQSHKQAWVBB,Shikimates and Phenylpropanoids,Phenylethanoids (C6-C2),Phenylethanoids,Veronica thymoides,212811.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Lamiales'],['Plantaginaceae'],['Veroniceae'],['Veronica'],['Veronica thymoides'],7,0,7.0
11959,23,-1,,,,0.0,MS1_match,WUCJZZPXANOCFR-UHFFFAOYSA-N,"InChI=1S/C27H44O4/c1-16(15-28)5-8-23(30)17(2)25-24(31)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,25,28-29H,5-15H2,1-4H3",CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C,C27H44O4,pos_1_minus1proton1iron,432.32395988799993,WUCJZZPXANOCFR,Terpenoids,Steroids,Cholestane steroids,Solanum tuberosum,494835.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum tuberosum'],9,0,9.0
11960,18,88,Terpenoids,Diterpenoids,Jatrophane diterpenoids,0.0,MS1_match,HTYVCFCGRYYUHZ-WACPJRSLSA-N,"InChI=1S/C33H42O8/c1-19-14-15-33(7,8)29(39-23(5)35)18-28(38-22(4)34)20(2)16-26-27(30(19)40-24(6)36)17-21(3)31(26)41-32(37)25-12-10-9-11-13-25/h9-16,19,21,26,28-29,31H,17-18H2,1-8H3/b15-14+,20-16+,30-27+/t19-,21-,26+,28+,29+,31-/m0/s1",CC(=O)O/C1=C2\C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H]1C,C33H42O8,pos_1_1proton,566.287968304,HTYVCFCGRYYUHZ,Terpenoids,Diterpenoids,Jatrophane diterpenoids,Euphorbia helioscopia,46554.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia helioscopia'],9,3,10.5
11961,17,67,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,0.26321384,ISDB,ZZYWILWDFCFHLX-VHHDHVISSA-N,"InChI=1S/C29H45NO3/c1-16-12-25(33-18(3)31)27-17(2)26-24(30(27)15-16)14-23-21-7-6-19-13-20(32)8-10-28(19,4)22(21)9-11-29(23,26)5/h6,16-17,20-27,32H,7-15H2,1-5H3/t16-,17-,20-,21+,22-,23-,24-,25-,26-,27-,28-,29-/m0/s1",CC(=O)O[C@H]1C[C@H](C)CN2[C@H]1[C@@H](C)[C@H]1[C@@H]2C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C,C29H45NO3,,455.3399443,ZZYWILWDFCFHLX,Alkaloids,Pseudoalkaloids,Steroidal alkaloids,Solanum chacoense,1020653.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Solanales'],['Solanaceae'],['Solaneae'],['Solanum'],['Solanum chacoense'],8,3,10.552855372428894
11962,16,-1,,,,0.0,MS1_match,DAMYRCZOUCCVGS-UHFFFAOYSA-N,"InChI=1S/C24H18/c1-3-5-9-19-23(21-15-11-7-12-16-21)24(20-10-6-4-2)22-17-13-8-14-18-22/h7-8,11-18,23-24H,1-2H3",CC#CC#CC(c1ccccc1)C(C#CC#CC)c1ccccc1,C24H18,pos_1_1proton1dmso,306.140850576,DAMYRCZOUCCVGS,,,,Artemisia capillaris,361562.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Asterales'],['Asteraceae'],['Anthemideae'],['Artemisia'],['Artemisia capillaris'],6,0,6.0
11963,1,-1,,,,0.0,MS1_match,UWIQWJHBYRTKAL-KQOASZHBSA-N,"InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2/t18-,21-,23+,26-,28+/m1/s1",O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O15,pos_1_1proton,600.1115200679999,UWIQWJHBYRTKAL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,8.0
11964,1,-1,,,,0.0,MS1_match,UWIQWJHBYRTKAL-UHFFFAOYSA-N,"InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2",O=C(OC1C(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O15,pos_1_1proton,600.111520068,UWIQWJHBYRTKAL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
11965,1,-1,,,,0.0,MS1_match,UWIQWJHBYRTKAL-UHFFFAOYSA-N,"InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2",O=C(OC1C(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O15,pos_1_1proton,600.111520068,UWIQWJHBYRTKAL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,8.0
11966,1,-1,,,,0.0,MS1_match,UWIQWJHBYRTKAL-KQOASZHBSA-N,"InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2/t18-,21-,23+,26-,28+/m1/s1",O=C(O[C@H]1[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1,C28H24O15,pos_1_1proton,600.1115200679999,UWIQWJHBYRTKAL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia maculata,683660.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia maculata'],8,0,8.0
11967,1,-1,,,,0.0,MS1_match,UWIQWJHBYRTKAL-UHFFFAOYSA-N,"InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2",O=C(OC1C(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O15,pos_1_1proton,600.111520068,UWIQWJHBYRTKAL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia petiolata,483278.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia petiolata'],8,0,8.0
11968,1,-1,,,,0.0,MS1_match,UWIQWJHBYRTKAL-UHFFFAOYSA-N,"InChI=1S/C28H24O15/c29-9-18-21(36)23(38)26(42-27(39)11-5-15(33)20(35)16(34)6-11)28(41-18)43-25-22(37)19-14(32)7-13(31)8-17(19)40-24(25)10-1-3-12(30)4-2-10/h1-8,18,21,23,26,28-36,38H,9H2",O=C(OC1C(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)OC(CO)C(O)C1O)c1cc(O)c(O)c(O)c1,C28H24O15,pos_1_1proton,600.111520068,UWIQWJHBYRTKAL,Shikimates and Phenylpropanoids,Flavonoids,Flavonols,Euphorbia ebracteolata,591082.0,['Eukaryota'],['Archaeplastida'],['Streptophyta'],['Magnoliopsida'],['Malpighiales'],['Euphorbiaceae'],['Euphorbieae'],['Euphorbia'],['Euphorbia ebracteolata'],8,0,8.0